data_2kyv_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 2kyv _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 ' 25' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.64 -32.81 71.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.792 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -66.47 -47.05 74.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.249 0.547 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.04 -44.19 85.35 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.56 -0.904 . . . . 2.25 108.56 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.48 -42.2 74.03 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 113.564 -1.653 . . . . 1.9 107.57 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -63.59 -41.2 98.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.35 -1.296 . . . . 2.57 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.62 -46.27 76.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.466 -0.494 . . . . 2.39 112.177 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -59.1 -40.08 84.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 120.332 -0.547 . . . . 2.41 110.82 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.86 -43.97 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.762 -0.654 . . . . 2.39 109.686 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.04 -44.32 96.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.155 -0.475 . . . . 2.16 110.084 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.99 -43.64 98.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.66 0.267 . . . . 2.22 111.094 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.169 -0.612 . . . . 2.6 109.569 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.42 -38.92 85.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 2.29 109.635 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.36 -45.75 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.076 -1.083 . . . . 1.97 108.076 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.3 mt -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 2.32 109.215 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 ' SG ' ' E' ' 41' ' ' CYS . 32.1 mt -63.7 -42.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.973 -0.751 . . . . 2.34 108.973 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.465 ' SG ' HG13 ' B' ' 40' ' ' ILE . 74.2 m -58.32 -47.58 83.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.84 -0.8 . . . . 2.32 108.84 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.21 -43.31 99.08 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.027 -0.36 . . . . 2.31 110.027 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.1 -42.03 89.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.059 -0.518 . . . . 2.23 109.726 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.63 -39.31 93.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.222 -0.659 . . . . 2.27 109.222 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.96 -44.53 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 108.374 -0.972 . . . . 2.48 108.374 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -63.16 -35.03 78.94 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.12 -0.945 . . . . 2.41 110.459 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.86 -40.17 83.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.031 0.443 . . . . 2.2 110.763 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.72 -42.07 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 115.381 -0.827 . . . . 2.4 109.558 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.28 -47.93 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.647 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.41 -46.4 88.77 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.518 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.37 -37.95 74.67 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.879 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.543 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.29 -33.14 71.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -66.49 -46.0 77.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.438 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -66.99 -44.11 81.25 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.38 -39.35 72.81 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.135 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.41 -43.64 89.96 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.48 -44.26 91.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.46 -43.61 96.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.64 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.78 -44.03 96.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.244 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.46 -43.84 97.86 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.85 -43.82 98.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.441 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.5 -38.63 90.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.8 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.24 -42.18 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.32 91.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.465 HG13 ' SG ' ' A' ' 41' ' ' CYS . 31.4 mt -63.79 -42.53 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' C' ' 40' ' ' ILE . 73.0 m -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.71 -41.59 99.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.909 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.49 -42.13 98.32 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.536 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.33 -39.02 93.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.14 -44.06 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -63.66 -35.02 79.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.178 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.09 -43.17 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.77 -42.71 96.83 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.739 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.39 -45.82 81.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.46 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 40.5 mmm -63.6 -47.04 83.07 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.29 -38.09 74.93 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.025 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.571 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.476 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.66 -33.05 72.25 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -66.63 -46.2 76.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.364 0.602 . . . . 0.0 110.263 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.55 -44.44 82.37 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.22 -39.62 72.79 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 113.696 -1.593 . . . . 0.0 108.074 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.0 -43.73 91.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.52 -44.21 91.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.51 -43.55 96.97 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.573 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.99 -44.1 96.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.166 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.3 -43.98 97.58 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.532 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 77.2 m -63.91 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.74 -38.6 89.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.871 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.44 -42.24 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.24 -40.41 90.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.469 HG13 ' SG ' ' B' ' 41' ' ' CYS . 32.1 mt -63.88 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' D' ' 40' ' ' ILE . 73.5 m -59.57 -45.17 92.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.51 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.82 -41.47 99.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.965 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.71 -42.11 98.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.634 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.21 -39.22 93.52 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.241 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.23 -43.87 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.66 -35.09 79.39 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.377 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.07 -43.06 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.029 0.442 . . . . 0.0 110.237 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.72 -42.88 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.65 0.738 . . . . 0.0 109.707 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.8 t -68.13 -45.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.495 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.9 mmm -63.84 -46.7 83.83 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.039 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.63 -38.01 73.84 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.036 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.493 -179.764 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -60.41 -33.2 72.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -66.51 -45.94 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.293 0.568 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.8 -44.31 81.57 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.22 -39.65 72.83 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 113.549 -1.659 . . . . 0.0 108.096 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.09 -43.76 91.03 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.41 -44.38 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.26 -43.6 96.0 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.996 -0.681 . . . . 0.0 109.685 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.95 -44.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.293 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.44 -43.84 97.84 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.204 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.99 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.06 -40.68 96.79 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.541 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.3 mt -65.85 -38.94 90.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.817 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.94 -42.31 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.33 -40.35 90.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.472 HG13 ' SG ' ' C' ' 41' ' ' CYS . 33.2 mt -63.7 -42.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.479 ' SG ' HG13 ' E' ' 40' ' ' ILE . 72.9 m -59.64 -45.23 92.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.537 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.07 -41.52 99.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.923 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.31 -42.39 98.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.602 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.93 -39.32 93.89 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.256 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.11 -43.9 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.9 m -63.75 -34.95 79.04 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.27 -43.14 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.63 -42.83 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-O 121.541 0.686 . . . . 0.0 109.661 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.25 -45.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.565 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 40.9 mmm -63.8 -46.89 83.13 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.45 -38.08 74.43 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.002 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.219 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.579 -179.656 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.3 -33.23 72.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -66.39 -46.11 77.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.578 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.72 -44.26 82.06 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -56.28 -39.38 72.58 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.116 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.549 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.56 -44.17 91.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.51 -43.37 97.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.656 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.22 -43.93 95.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.42 -43.96 97.57 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.185 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -61.82 -43.59 98.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.754 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.2 -40.77 96.78 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.406 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.72 -38.87 90.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.755 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.79 -42.31 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.31 -40.55 90.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.479 HG13 ' SG ' ' D' ' 41' ' ' CYS . 32.7 mt -63.85 -42.31 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.458 ' SG ' HG13 ' A' ' 40' ' ' ILE . 73.0 m -59.61 -45.41 92.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.71 -41.51 99.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.072 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.61 -42.12 98.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.22 -39.17 93.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.13 -44.18 99.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.41 -35.11 79.33 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.368 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.28 -43.02 88.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 0.0 110.164 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.63 -42.91 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 CA-C-O 121.699 0.761 . . . . 0.0 109.739 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.23 -46.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.519 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 41.3 mmm -63.68 -46.83 83.74 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.898 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.19 -38.34 75.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.977 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.596 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.56 -179.679 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 . . . . . 0 CA--C 1.517 -0.312 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -61.85 -32.38 72.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.252 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -67.8 -45.37 74.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.253 0.549 . . . . 0.0 109.612 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.0 -44.54 84.5 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 108.706 -0.85 . . . . 2.24 108.706 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.28 -41.41 75.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.572 -1.649 . . . . 1.91 107.649 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -63.77 -40.61 97.12 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.188 -1.369 . . . . 2.57 111.245 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.38 -46.8 72.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.353 -0.539 . . . . 2.41 111.665 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -58.92 -41.27 86.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.472 -0.491 . . . . 2.42 110.725 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.12 -43.41 85.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.888 -0.596 . . . . 2.4 109.836 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.91 -44.65 96.35 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.497 -0.481 . . . . 2.16 110.352 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.025 -0.27 . . . . 2.21 110.953 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.7 m -63.6 -38.95 93.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.208 -0.597 . . . . 2.61 109.605 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.2 -38.86 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.537 -0.756 . . . . 2.3 109.435 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.03 -45.97 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.347 -0.983 . . . . 1.98 108.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.4 -41.16 75.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.794 -0.639 . . . . 2.29 109.39 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG13 ' SG ' ' E' ' 41' ' ' CYS . 27.9 mt -62.54 -42.85 97.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.305 -0.628 . . . . 2.31 109.305 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.0 m -57.64 -46.5 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.694 -0.854 . . . . 2.31 108.694 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.98 -44.19 97.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.817 -0.438 . . . . 2.32 109.817 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.56 -42.48 92.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 2.25 109.665 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.2 mt -63.75 -40.31 96.41 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.241 -0.651 . . . . 2.3 109.241 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.76 -43.71 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.383 -0.969 . . . . 2.48 108.383 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.87 -35.31 79.59 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.81 -38.7 82.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.055 0.455 . . . . 2.21 110.718 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.57 -41.78 86.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.895 0.855 . . . . 2.38 109.359 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.42 -47.27 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.574 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.7 mmm -62.55 -47.13 85.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.63 -38.65 80.68 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.652 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.387 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.147 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -66.78 -44.4 81.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.436 0.636 . . . . 0.0 110.428 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.75 -45.14 83.69 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.34 -38.7 74.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.396 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.22 -43.78 90.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.58 -44.81 89.49 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.395 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.45 -44.18 96.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.75 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.73 -43.42 93.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.357 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.34 -44.55 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.23 -42.73 99.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -63.64 -41.56 98.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.68 -38.51 89.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.999 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.49 -41.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.27 -40.18 89.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.448 HG13 ' SG ' ' A' ' 41' ' ' CYS . 27.9 mt -63.01 -42.71 97.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.465 ' SG ' HG13 ' C' ' 40' ' ' ILE . 64.3 m -58.91 -43.49 91.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.988 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.21 -42.32 99.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.698 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.48 -40.64 97.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.48 -44.05 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.14 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.95 -42.6 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-O 120.961 0.41 . . . . 0.0 110.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.9 -42.85 97.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 109.498 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.42 -46.27 83.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.297 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.016 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.55 -39.27 81.13 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.114 0.483 . . . . 0.0 109.727 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.595 -179.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.83 -34.46 74.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.994 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -66.71 -44.42 81.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.211 0.529 . . . . 0.0 110.356 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.85 -44.98 83.87 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.22 -38.61 74.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.404 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.26 -44.02 89.44 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.58 -44.58 90.24 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.411 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.19 -44.48 95.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.761 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.71 -43.54 93.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.27 -44.48 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.32 -42.64 99.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.75 -41.41 98.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.62 -39.04 91.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.899 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.81 -42.35 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.79 -40.56 88.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.465 HG13 ' SG ' ' B' ' 41' ' ' CYS . 28.5 mt -62.63 -43.01 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.478 ' SG ' HG13 ' D' ' 40' ' ' ILE . 64.2 m -58.69 -43.51 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.01 -42.25 99.77 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.07 -42.38 99.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -63.37 -40.83 98.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.25 -43.71 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.94 -35.5 80.34 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.77 -42.53 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.003 0.43 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.0 -42.61 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.646 0.736 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.74 -46.08 83.25 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.8 mmm -63.36 -47.42 82.2 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.79 -38.71 80.16 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.139 0.495 . . . . 0.0 109.746 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.748 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.552 -179.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.71 -34.47 74.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.084 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.74 -44.4 81.62 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.36 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.91 -44.8 84.14 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.48 -38.44 74.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.633 -1.622 . . . . 0.0 108.431 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.52 -43.93 88.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.389 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.32 -44.66 90.86 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.13 -44.71 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.668 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.35 -43.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -62.55 -44.33 96.6 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.279 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.41 -42.7 99.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.88 -41.31 97.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.75 -38.82 90.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.81 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.96 -42.36 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.81 -40.5 88.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.478 HG13 ' SG ' ' C' ' 41' ' ' CYS . 29.0 mt -62.69 -42.91 97.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.48 ' SG ' HG13 ' E' ' 40' ' ' ILE . 64.7 m -58.87 -43.53 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.9 -42.22 99.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.02 -42.34 99.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.718 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.51 -40.87 98.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.16 -43.82 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.7 m -63.03 -35.33 79.89 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.64 -42.6 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 121.072 0.463 . . . . 0.0 110.234 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.89 -42.82 97.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 109.506 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.69 -46.02 83.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.352 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.48 -47.31 82.32 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.003 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.96 -38.53 79.46 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.439 -179.644 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.49 -34.58 74.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.113 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -66.64 -44.39 82.07 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.336 0.589 . . . . 0.0 110.362 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.75 -45.28 83.19 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -56.79 -38.99 73.3 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.49 -1.686 . . . . 0.0 108.401 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.01 -44.02 90.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.488 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.46 -44.78 90.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.12 -44.45 94.88 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.753 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.69 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.1 -44.58 96.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.43 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.31 -42.72 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.48 -38.59 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.046 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.27 -41.94 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 mt -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.48 HG13 ' SG ' ' D' ' 41' ' ' CYS . 28.1 mt -62.96 -42.57 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.639 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.478 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.9 m -58.88 -43.61 90.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.04 -42.07 99.67 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.18 -42.3 99.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.38 -40.63 97.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.588 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.64 -43.88 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 86.5 m -62.78 -35.32 79.47 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.016 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.74 -42.62 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.194 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.93 -42.63 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-O 121.504 0.668 . . . . 0.0 109.674 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.03 83.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.471 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.33 -47.43 82.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.894 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.84 -39.21 80.08 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.65 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.678 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -64.13 -34.19 77.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.745 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -65.45 -43.07 91.52 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.524 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -66.4 -44.25 83.53 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.667 -0.864 . . . . 2.22 108.667 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -56.08 -41.23 74.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 113.697 -1.592 . . . . 1.91 107.964 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.249 -1.341 . . . . 2.55 111.033 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.26 -45.63 76.09 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.208 -0.597 . . . . 2.44 112.137 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.05 -42.57 94.75 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.361 -0.536 . . . . 2.44 111.162 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.59 -43.18 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.067 -0.515 . . . . 2.43 109.977 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.29 -45.17 94.44 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.209 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.36 -42.25 99.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.665 -0.243 . . . . 2.18 110.681 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.99 -39.57 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.262 -0.575 . . . . 2.58 109.746 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.01 -38.26 82.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 2.33 109.805 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.2 -46.75 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.668 -0.864 . . . . 1.97 108.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.74 -40.54 75.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.835 -0.802 . . . . 2.31 108.835 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG13 ' SG ' ' E' ' 41' ' ' CYS . 30.0 mt -62.4 -42.38 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.855 -0.794 . . . . 2.29 108.855 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.407 ' SG ' HG13 ' B' ' 40' ' ' ILE . 62.3 m -58.75 -46.63 86.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.769 -0.826 . . . . 2.31 108.769 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.39 -43.33 99.05 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 110.115 -0.328 . . . . 2.36 110.115 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.1 -42.18 94.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.263 -0.426 . . . . 2.23 109.999 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.8 mt -63.38 -38.96 93.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.249 -0.648 . . . . 2.27 109.249 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.23 -43.23 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.688 -0.856 . . . . 2.44 108.688 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.29 -35.2 79.59 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.234 -0.894 . . . . 2.38 110.036 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -66.8 -40.86 86.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.237 0.541 . . . . 2.22 110.837 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.51 -42.49 87.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.949 -1.023 . . . . 2.4 110.324 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.16 -48.93 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.754 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mmm -62.36 -47.08 85.77 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.35 -38.8 81.81 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.977 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.444 -0.728 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.55 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.95 -38.28 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.03 -41.34 99.5 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.638 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.36 -44.29 79.38 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.2 -38.75 74.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.486 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.7 -45.18 87.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.352 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.19 -43.85 90.3 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.73 93.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.003 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.29 -43.52 95.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.16 -45.19 94.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.068 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.369 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.1 -42.45 99.23 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.606 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.57 -38.2 88.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.137 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.93 -43.47 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.28 -40.23 85.43 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.407 HG13 ' SG ' ' A' ' 41' ' ' CYS . 29.4 mt -62.54 -42.42 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HG13 ' C' ' 40' ' ' ILE . 62.6 m -59.42 -43.82 93.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.59 -42.02 98.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.92 -41.8 98.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.945 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.91 -39.31 93.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.05 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.96 -35.62 80.76 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.0 mt -65.69 -44.12 93.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.02 0.438 . . . . 0.0 110.088 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.24 -43.15 97.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.25 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.87 -46.62 78.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.496 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.09 -47.55 79.61 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.32 -39.4 81.98 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.039 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.646 -179.828 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 CA--C 1.517 -0.308 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.9 -37.87 88.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.23 -41.48 99.11 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.555 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.39 -44.12 79.67 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -38.89 74.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.624 -1.626 . . . . 0.0 108.471 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.74 -44.96 88.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.445 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.22 -43.48 91.35 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -61.24 -45.56 94.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.91 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.44 -43.51 94.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.34 -45.31 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -42.17 99.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.552 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.7 -38.16 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.04 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.04 -43.21 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.48 -40.22 86.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.425 HG13 ' SG ' ' B' ' 41' ' ' CYS . 29.5 mt -62.46 -42.63 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.434 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.0 m -59.24 -43.96 92.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.45 -42.19 98.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.98 -41.76 98.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.64 -39.32 94.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.0 -43.38 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -62.94 -35.76 81.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.59 -44.12 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.262 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.24 -43.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.82 -46.7 78.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.405 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.83 -47.37 81.07 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.121 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.53 -39.02 81.34 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.014 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.434 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 CA--C 1.518 -0.275 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.8 -38.05 89.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.07 -41.56 99.46 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.628 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.34 -44.18 79.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.18 -38.6 73.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.602 -1.635 . . . . 0.0 108.673 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.83 -45.05 87.77 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.25 -43.6 90.82 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.21 -45.6 93.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.831 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.44 -43.44 94.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.26 -45.6 92.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.76 -42.83 99.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.484 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.22 -42.22 99.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.609 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.78 -37.93 87.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.35 -43.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.51 -40.08 85.94 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.434 HG13 ' SG ' ' C' ' 41' ' ' CYS . 29.2 mt -62.77 -42.41 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.433 ' SG ' HG13 ' E' ' 40' ' ' ILE . 62.1 m -59.49 -43.56 93.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.735 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.63 -41.95 98.21 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.164 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.16 -41.79 98.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.956 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 40.8 mt -63.78 -39.34 94.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -62.99 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.13 -35.63 80.92 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.025 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.6 -44.21 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.058 0.456 . . . . 0.0 110.189 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.23 -43.22 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.71 -46.58 79.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.609 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -64.07 -47.56 79.65 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.967 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.36 -38.8 81.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.445 -0.72 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.423 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.01 -38.25 90.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.343 -1.298 . . . . 0.0 111.31 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -62.94 -41.26 99.44 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.556 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -67.53 -44.46 78.33 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.12 -38.7 73.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.582 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.61 -45.39 87.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.451 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.93 -43.76 91.7 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.64 93.93 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.024 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.46 -43.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.31 -45.43 93.25 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.03 -42.86 99.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.14 -42.19 99.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.626 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.68 -38.15 88.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.147 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.95 -43.41 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -40.38 86.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.433 HG13 ' SG ' ' D' ' 41' ' ' CYS . 28.6 mt -62.46 -42.52 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.428 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.3 m -59.35 -43.85 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.41 -42.04 98.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.09 -41.72 98.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.84 -39.41 94.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.91 -43.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.83 -35.87 81.37 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.085 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -65.61 -44.18 93.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.914 0.388 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.1 -43.23 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.333 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.9 -46.65 78.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.464 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 82.6 mmm -64.01 -47.5 80.03 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.076 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.33 -39.26 82.0 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.109 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.444 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.671 -179.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.56 ' CZ ' HD22 ' E' ' 27' ' ' ASN . 99.3 mtt180 . . . . . 0 CA--C 1.517 -0.301 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.97 -38.74 92.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.558 HD22 ' CZ ' ' B' ' 25' ' ' ARG . 76.8 m-20 -64.16 -43.44 95.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.229 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.49 -44.1 97.68 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.962 -0.755 . . . . 1.94 108.962 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.19 -40.04 92.44 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.809 -1.542 . . . . 2.5 108.284 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -63.77 -44.46 93.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.045 -0.98 . . . . 2.32 110.471 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.36 -47.0 77.96 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.885 -0.726 . . . . 2.3 111.708 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 6.1 t80 -59.87 -52.44 65.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.39 -0.924 . . . . 2.6 109.978 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.61 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.504 -0.479 . . . . 2.3 111.529 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -58.97 -52.23 66.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.094 -0.642 . . . . 2.3 109.904 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.8 -43.25 80.75 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.392 -0.367 . . . . 2.59 110.904 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 98.9 m -67.01 -37.41 84.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.57 -0.452 . . . . 2.08 111.179 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -60.76 -42.43 97.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.952 -0.758 . . . . 2.1 108.952 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.83 -43.96 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 109.247 -0.649 . . . . 2.45 109.247 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.01 -42.53 99.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.833 -0.347 . . . . 2.36 110.818 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.32 -42.55 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.887 -0.783 . . . . 2.28 108.887 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.33 -43.79 98.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.97 -0.752 . . . . 2.23 108.97 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.98 -41.92 98.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.73 -0.214 . . . . 2.18 110.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.41 -43.24 96.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.963 -0.754 . . . . 2.45 108.963 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 2.36 110.151 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 mt -61.92 -43.59 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.202 -0.666 . . . . 2.22 109.202 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -39.3 86.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.351 -0.611 . . . . 2.27 109.351 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.39 -42.09 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.799 -0.637 . . . . 2.26 109.821 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.78 -44.26 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 N-CA-C 108.77 -0.826 . . . . 2.55 108.77 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.1 t -60.01 -44.81 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.237 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.98 -41.6 97.47 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.427 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.85 -41.86 95.35 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.826 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.694 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.558 ' CZ ' HD22 ' A' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.11 -41.28 99.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.55 HD22 ' CZ ' ' C' ' 25' ' ' ARG . 73.3 m-20 -63.23 -40.18 96.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.189 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.54 -44.24 94.78 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.79 -38.33 87.68 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.836 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -64.88 -45.6 85.31 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.986 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.09 -45.01 86.99 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.408 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 6.5 t80 -62.37 -49.92 73.64 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.364 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.63 -44.14 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.841 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.87 -47.85 83.18 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.499 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.21 -42.93 99.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.227 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 99.3 m -66.37 -38.18 86.99 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.341 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -60.16 -42.27 94.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.1 -43.5 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.323 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.06 -42.54 99.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.47 -42.85 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.78 -42.85 99.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.355 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.51 -41.21 98.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.338 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.4 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.41 -39.63 92.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.017 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.25 -42.86 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.07 -38.98 88.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.625 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.72 -41.8 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.24 -44.61 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.901 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.33 -41.36 96.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.367 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.01 -41.76 95.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.668 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.759 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . 0.55 ' CZ ' HD22 ' B' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -63.38 -41.41 98.78 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.56 HD22 ' CZ ' ' D' ' 25' ' ' ARG . 73.0 m-20 -63.13 -40.09 96.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.318 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.59 -44.24 94.58 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.78 -38.42 87.97 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 113.535 -1.666 . . . . 0.0 108.836 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -64.72 -45.73 85.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.028 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 -44.9 88.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.266 -0.573 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.421 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 6.5 t80 -62.63 -49.76 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.69 -44.15 96.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -61.81 -47.98 82.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.07 -42.94 99.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 99.1 m -66.38 -38.44 87.55 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 25.4 mt -59.97 -42.16 93.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.18 -43.45 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.17 -42.49 99.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.747 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.5 -42.85 97.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.77 -42.86 99.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.5 -41.16 98.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.42 -43.42 98.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.25 -39.59 92.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.122 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 24.3 mt -62.4 -42.73 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.2 m -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -42.93 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.664 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.69 -41.83 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.407 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.34 -44.63 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.045 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 73.5 mtm -64.13 -41.68 97.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.337 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.73 -41.96 95.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.907 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . 0.56 ' CZ ' HD22 ' C' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.34 -41.32 98.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.418 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.549 HD22 ' CZ ' ' E' ' 25' ' ' ARG . 73.7 m-20 -63.16 -40.11 96.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.254 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.66 -44.12 94.73 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 122.031 0.919 . . . . 0.0 108.541 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.89 -38.42 88.26 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.891 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -64.65 -45.77 85.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.087 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.88 -44.85 88.33 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.422 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 6.5 t80 -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.429 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.7 -44.28 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.682 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -61.71 -48.0 82.75 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.504 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.15 -42.69 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.317 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 96.9 m -66.57 -38.45 87.1 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.78 -42.16 92.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 28.8 mm -64.32 -43.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.12 -42.49 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.54 -42.81 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.91 -42.91 99.64 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.33 -41.09 98.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.47 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.36 -39.58 92.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.151 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.29 -42.83 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -61.14 -38.93 88.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.27 -42.81 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.676 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.77 -41.87 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.388 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.28 -44.65 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.018 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.11 -41.7 97.15 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.65 -42.06 95.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.853 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . 0.549 ' CZ ' HD22 ' D' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 CA--C 1.518 -0.266 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.11 -41.18 99.3 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.612 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.56 HD22 ' CZ ' ' A' ' 25' ' ' ARG . 73.3 m-20 -63.31 -40.16 96.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.233 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.6 -44.12 94.92 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.97 -38.29 87.98 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -64.8 -45.67 85.26 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.01 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.91 -44.9 88.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 6.4 t80 -62.59 -49.67 74.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.9 -44.15 96.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.91 -47.8 83.31 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.479 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -42.93 99.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 97.9 m -66.5 -38.31 86.98 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.0 mt -60.05 -42.31 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.0 -43.5 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.18 -42.38 99.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.404 HG22 HD12 ' E' ' 40' ' ' ILE . 30.1 mm -63.59 -42.81 97.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.77 -42.9 99.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.407 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.43 -41.22 98.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.24 -43.48 98.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.3 -39.64 92.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.082 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.34 -42.94 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.96 -39.02 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.22 -42.86 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.75 -41.82 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.26 -44.69 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.2 -41.5 97.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.92 -41.72 95.33 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.674 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.807 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HE ' HD22 ' E' ' 27' ' ' ASN . 81.8 mtt85 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.06 -39.93 95.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 HD22 ' HE ' ' B' ' 25' ' ' ARG . 91.7 m-20 -65.71 -43.35 89.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.64 -44.96 94.96 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.365 0.602 . . . . 1.88 109.918 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -63.18 -36.68 84.44 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.649 -1.159 . . . . 2.17 108.841 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.127 -0.942 . . . . 2.6 110.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.25 -47.94 59.12 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.422 -0.511 . . . . 2.37 110.192 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -55.87 -43.24 76.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.002 0.43 . . . . 2.42 111.798 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.16 -43.18 75.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.013 -0.994 . . . . 2.3 110.374 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.35 -49.62 76.88 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.922 -0.581 . . . . 2.2 110.879 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.0 -37.43 85.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.616 -0.434 . . . . 2.49 110.612 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 m -64.4 -41.18 96.78 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.067 -0.653 . . . . 2.48 109.522 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.61 -36.04 81.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.598 -1.183 . . . . 2.02 109.57 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.0 -45.14 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.327 -0.99 . . . . 2.06 108.327 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.71 -40.24 87.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 2.5 109.445 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 40' ' ' ILE . 37.3 mm -63.36 -42.27 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.377 -0.971 . . . . 2.29 108.377 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' B' ' 40' ' ' ILE . 71.0 m -60.5 -46.53 89.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.052 -0.721 . . . . 2.18 109.052 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.42 -42.55 99.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.019 -0.363 . . . . 2.37 110.019 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.65 -42.23 92.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 2.32 109.966 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.7 -36.6 84.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.228 -0.442 . . . . 2.2 110.198 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.5 -42.24 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.572 -0.899 . . . . 2.3 108.572 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.03 -37.83 86.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 2.18 109.617 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 47' ' ' ILE . 36.7 mm -64.17 -42.58 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.19 -0.671 . . . . 2.32 109.19 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.1 -41.79 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 108.882 -0.785 . . . . 2.72 108.882 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.76 -43.97 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.762 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.8 mmm -63.12 -41.09 99.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.16 -37.84 88.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.875 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.434 ' HE ' HD22 ' A' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.514 -0.422 0 CA-C-O 121.346 0.593 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.77 -43.06 99.79 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.517 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.448 HD22 ' HE ' ' C' ' 25' ' ' ARG . 93.8 m-20 -64.19 -40.93 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.109 0.48 . . . . 0.0 110.215 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.98 -45.08 90.64 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.482 0.658 . . . . 0.0 109.354 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -63.84 -35.88 82.09 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.223 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.98 -44.04 93.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.52 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.15 -44.54 75.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.385 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.54 -48.29 79.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.089 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.6 -43.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.28 -49.36 77.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.72 -37.83 87.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.44 -44.38 94.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.5 -43.01 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.65 -40.09 93.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.477 HD12 HG22 ' B' ' 40' ' ' ILE . 37.6 mm -63.37 -42.3 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.41 ' SG ' ' CD1' ' C' ' 40' ' ' ILE . 71.1 m -61.05 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.87 98.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.59 -42.27 98.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.682 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.94 -35.99 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.07 -42.31 92.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.89 -37.69 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.614 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.464 HD11 HG23 ' B' ' 47' ' ' ILE . 36.7 mm -64.21 -42.96 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.65 -41.67 93.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.05 -43.85 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.12 -41.05 99.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.27 -37.99 88.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.864 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . 0.448 ' HE ' HD22 ' B' ' 27' ' ' ASN . 81.8 mtt85 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.58 -42.89 99.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.445 HD22 ' HE ' ' D' ' 25' ' ' ARG . 93.9 m-20 -64.38 -40.84 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.27 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.98 -45.17 90.24 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.435 0.636 . . . . 0.0 109.307 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -63.71 -36.12 82.8 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.187 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -63.71 -44.3 94.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.01 -44.52 76.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.362 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.55 -48.3 79.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.011 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.54 -43.11 87.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.14 -49.32 78.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -65.8 -37.71 87.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.208 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.58 -44.56 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.2 -35.64 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.39 -42.91 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.62 -40.1 93.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.493 HG22 HD12 ' C' ' 40' ' ' ILE . 37.6 mm -63.36 -42.33 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' D' ' 40' ' ' ILE . 72.0 m -61.31 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.5 -40.53 97.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.05 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.78 -42.39 98.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.754 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.82 -36.09 82.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.332 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.27 92.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.79 -37.8 85.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.602 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.463 HG23 HD11 ' C' ' 47' ' ' ILE . 37.0 mm -64.17 -42.97 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.63 -41.71 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.92 -43.75 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.5 mmm -63.3 -40.94 98.73 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.35 -37.76 88.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.567 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.902 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . 0.445 ' HE ' HD22 ' C' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.8 -43.01 99.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.419 HD22 ' HE ' ' E' ' 25' ' ' ARG . 94.0 m-20 -64.3 -40.88 96.83 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.246 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.98 -45.15 90.36 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -63.66 -36.17 82.96 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.227 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -63.73 -44.41 93.63 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.58 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.96 -44.41 76.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.378 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.66 -48.11 80.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.959 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.69 -43.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.32 -48.97 79.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -66.04 -37.84 86.88 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.198 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.58 -44.57 93.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.14 -35.71 81.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.047 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.31 -42.93 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.59 -40.14 93.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.477 HD12 HG22 ' D' ' 40' ' ' ILE . 37.9 mm -63.39 -42.35 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.43 ' SG ' ' CD1' ' E' ' 40' ' ' ILE . 71.4 m -61.22 -45.2 95.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.542 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.53 -40.7 97.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.39 98.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.709 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.7 -36.32 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.254 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.92 -42.23 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 81.3 m -61.92 -37.74 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.559 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . 0.403 HG23 HD11 ' D' ' 47' ' ' ILE . 37.0 mm -64.18 -42.91 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.72 -41.6 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.06 -43.75 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.26 -40.87 98.64 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.238 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.46 -37.77 87.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.834 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . 0.419 ' HE ' HD22 ' D' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.516 -0.365 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.54 -43.39 98.94 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.51 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.438 HD22 ' HE ' ' A' ' 25' ' ' ARG . 93.8 m-20 -64.04 -40.82 97.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.213 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.92 -45.3 89.86 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.206 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.8 -44.56 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.409 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.5 -48.34 79.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.7 -43.05 86.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.072 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.28 -49.3 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -65.82 -37.81 87.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.61 -44.29 94.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.42 -35.56 81.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.043 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.43 -43.09 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.53 -40.08 93.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.478 HG22 HD12 ' E' ' 40' ' ' ILE . 37.6 mm -63.42 -42.32 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 40' ' ' ILE . 71.8 m -61.09 -45.47 94.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.596 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -40.72 98.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.084 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.24 98.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.73 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.99 -36.03 82.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.36 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.91 -37.56 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . 0.456 HG23 HD11 ' E' ' 47' ' ' ILE . 36.5 mm -64.3 -42.99 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.61 -41.64 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.02 -43.88 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.777 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -63.07 -41.0 99.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.39 -37.92 88.44 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.908 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -66.9 -35.0 79.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.268 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -64.03 -42.83 96.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -45.87 81.25 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 119.967 -0.693 . . . . 2.02 109.682 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.72 -40.75 69.54 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 114.522 -1.217 . . . . 2.01 108.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.455 -1.248 . . . . 2.64 111.036 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.79 -48.6 63.24 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.374 -0.531 . . . . 2.4 111.766 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -58.41 -40.03 81.32 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.523 -0.471 . . . . 2.38 111.251 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -68.24 -43.56 84.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.521 -0.763 . . . . 2.3 109.927 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.7 -46.21 89.19 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.596 -0.441 . . . . 2.2 110.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -62.66 -42.73 99.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.82 -0.352 . . . . 2.4 110.277 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.84 -39.26 93.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.448 -0.501 . . . . 2.52 109.805 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.99 -38.27 88.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.1 109.975 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.24 -43.69 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.919 -0.771 . . . . 1.99 108.919 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.49 -40.47 82.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.33 -0.619 . . . . 2.44 109.33 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.458 HG21 HD11 ' A' ' 40' ' ' ILE . 37.2 mm -63.29 -42.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.664 -0.865 . . . . 2.39 108.664 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' B' ' 40' ' ' ILE . 73.4 m -60.62 -45.05 95.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.943 -0.762 . . . . 2.18 108.943 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.7 -43.06 99.58 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.669 0.271 . . . . 2.23 110.574 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.99 -42.78 90.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 2.35 109.133 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.55 -39.07 93.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.593 . . . . 2.27 109.617 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.39 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.795 -0.817 . . . . 2.37 108.795 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.95 -39.33 89.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.572 . . . . 2.32 109.669 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.13 -41.63 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.645 -0.707 . . . . 2.13 110.147 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.18 -44.22 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.561 -0.745 . . . . 2.66 109.176 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.2 -44.66 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.957 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.2 mtt -64.08 -39.1 93.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.226 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.82 -38.77 92.1 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.994 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.091 0.472 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -66.31 -36.96 84.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.012 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.24 -39.35 94.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.45 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -45.76 70.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.021 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.79 -40.14 69.15 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.095 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -63.81 -44.65 92.66 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.464 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -45.04 87.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.76 -43.97 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.769 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.27 -43.57 95.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.63 -47.2 84.79 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.987 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.05 -43.91 98.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.7 -41.6 97.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.62 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.21 -38.34 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -62.16 -42.12 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.98 -40.36 88.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.433 HD13 ' SG ' ' A' ' 41' ' ' CYS . 37.4 mm -63.17 -42.54 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' C' ' 40' ' ' ILE . 74.0 m -61.11 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.735 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.09 -41.57 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.18 -42.24 98.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.75 -39.04 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.553 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.27 -39.15 89.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.87 -42.83 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.05 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.47 -42.62 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.631 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.84 -44.67 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.613 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.7 mtt -64.11 -38.83 92.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.183 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.98 -39.09 92.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.184 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 121.098 0.475 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.078 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.33 -39.2 93.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.482 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -45.82 70.65 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.047 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.93 -40.0 69.43 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.036 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -63.87 -44.65 92.46 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.501 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.22 -44.95 86.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -60.74 -44.25 96.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.586 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.09 -43.66 95.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.487 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.63 -46.88 86.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.714 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.42 -38.19 90.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mm -62.39 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.04 -40.2 88.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.446 HG21 HD11 ' C' ' 40' ' ' ILE . 36.8 mm -63.36 -42.53 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.431 ' SG ' HD13 ' D' ' 40' ' ' ILE . 74.0 m -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.709 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.95 -41.38 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.35 -41.89 97.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.25 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.571 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.45 -43.0 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.52 -39.03 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -64.97 -42.76 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.54 -42.72 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.61 -44.87 99.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 46.3 mtt -63.97 -39.08 93.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.22 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.79 -38.93 92.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.292 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.179 0.514 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -66.18 -37.21 85.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.26 -39.39 94.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.488 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -45.59 71.26 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.077 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -54.82 -40.3 69.42 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.95 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -63.54 -44.93 92.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.56 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.86 -44.96 88.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.754 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.03 -43.67 95.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.7 -46.64 87.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.097 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.46 -43.48 98.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.3 m -62.18 -41.41 98.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.666 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.33 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.368 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.26 -41.92 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.28 -40.06 89.08 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.447 HG21 HD11 ' D' ' 40' ' ' ILE . 37.2 mm -63.52 -42.45 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' E' ' 40' ' ' ILE . 73.8 m -61.25 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.655 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.47 -42.06 98.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.94 -38.9 92.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.627 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.37 -43.01 97.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.53 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.91 -42.78 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.957 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.55 -42.65 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.743 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.69 -44.8 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.608 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 46.8 mtt -64.02 -39.05 93.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.77 -38.9 92.54 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.178 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.07 0.462 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -66.46 -37.09 84.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.111 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -63.23 -39.68 95.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -45.78 72.1 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.02 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -54.8 -40.32 69.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.965 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -63.48 -45.2 91.87 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.73 -44.91 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.55 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.24 -43.51 95.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -62.56 -46.72 87.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -61.43 -43.78 98.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.89 -41.67 98.16 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.354 -0.539 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.8 mt -64.22 -38.24 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.313 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mm -62.29 -42.02 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.13 -40.26 89.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.464 HG21 HD11 ' E' ' 40' ' ' ILE . 37.3 mm -63.23 -42.4 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.409 ' SG ' HD13 ' A' ' 40' ' ' ILE . 74.4 m -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.756 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.19 -41.46 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.76 -39.03 93.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.49 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.42 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.04 -42.79 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.41 -42.65 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.608 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.83 -44.64 99.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.648 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 47.2 mtt -64.03 -39.03 93.18 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.14 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.75 -39.17 93.18 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.982 0.42 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -67.98 -42.52 80.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt -64.14 -46.59 83.41 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.193 -0.669 . . . . 1.9 109.193 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -58.93 -38.62 79.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.551 -1.204 . . . . 2.19 108.357 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -64.27 -40.21 95.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.707 -1.133 . . . . 2.65 109.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.8 -47.75 65.33 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.426 -0.51 . . . . 2.34 111.263 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.81 -40.34 83.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.386 -0.526 . . . . 2.37 111.241 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.14 -43.69 81.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 2.3 109.955 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.23 -46.53 88.43 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.428 -0.509 . . . . 2.29 110.168 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -63.22 -43.36 98.33 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.188 -0.205 . . . . 2.47 110.652 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.57 -39.28 93.99 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.386 -0.526 . . . . 2.42 110.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.57 -39.14 91.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.349 -0.841 . . . . 2.01 109.437 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.1 -44.91 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.891 -0.781 . . . . 2.19 108.891 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.63 -38.13 86.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.659 -0.497 . . . . 2.56 109.659 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.94 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.723 -0.844 . . . . 2.26 108.723 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.74 -40.63 95.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.029 -0.987 . . . . 1.99 109.391 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.67 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.881 -0.414 . . . . 2.34 109.881 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.256 -0.646 . . . . 2.54 109.256 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.97 -39.21 94.0 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.761 -0.654 . . . . 2.24 109.486 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -58.78 -41.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.446 -0.946 . . . . 2.22 108.446 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.73 -36.57 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 2.11 109.294 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 47' ' ' ILE . 38.0 mm -63.91 -42.73 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 2.27 109.298 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.84 -43.74 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 109.038 -0.727 . . . . 2.92 109.038 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -60.92 -45.22 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.297 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 88.1 mmm -63.67 -40.47 96.9 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.39 -38.71 92.0 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.34 -33.12 75.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.981 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.09 -41.28 90.88 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.21 -47.56 79.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -59.26 -37.01 76.56 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.933 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.412 HD22 HD22 ' B' ' 34' ' ' ASN . 7.7 t-20 -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.372 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.92 -44.4 85.26 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.16 -44.97 96.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.09 -43.74 95.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.654 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . 0.412 HD22 HD22 ' B' ' 30' ' ' ASN . 95.6 m-20 -62.52 -46.7 87.22 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.977 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -62.22 -43.75 98.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.7 m -63.49 -41.68 98.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.785 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.38 -39.4 94.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.987 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.97 -43.14 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.78 -38.66 91.5 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.72 -42.64 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.05 -39.99 94.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.959 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -41.57 99.57 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.79 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.08 -43.43 98.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.15 -36.94 85.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.78 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.78 -41.33 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.68 -36.31 78.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.423 HG21 HD11 ' B' ' 47' ' ' ILE . 37.4 mm -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.9 -42.76 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.459 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.96 -44.94 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.107 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.69 -40.53 97.03 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.221 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.39 -38.61 91.65 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -64.01 -32.9 74.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.986 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' C' ' 26' ' ' GLN . 86.6 m-20 -66.39 -41.29 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.409 -0.517 . . . . 0.0 109.713 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.36 -46.85 81.62 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.83 -36.7 77.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.896 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . 0.41 HD22 HD22 ' C' ' 34' ' ' ASN . 7.6 t-20 -65.13 -43.28 92.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.338 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.14 -44.5 84.0 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.12 -45.09 96.09 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.712 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.93 -43.84 96.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . 0.41 HD22 HD22 ' C' ' 30' ' ' ASN . 95.7 m-20 -62.39 -46.88 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.045 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.14 -43.7 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.562 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 91.9 m -63.49 -41.73 98.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.762 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.46 -39.27 94.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.92 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -43.15 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.82 -38.77 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.53 -42.52 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 96.4 m -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.943 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.12 -41.59 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.713 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 60.2 mt -63.02 -43.43 98.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.1 -37.17 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.6 -41.35 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.62 -36.74 79.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.56 -43.3 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.69 -42.75 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.469 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.98 -45.0 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.085 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.8 -40.41 96.58 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.37 -38.8 92.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.037 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -63.7 -32.79 74.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.026 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' D' ' 26' ' ' GLN . 86.5 m-20 -66.28 -41.31 90.02 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.227 0.537 . . . . 0.0 109.784 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 -47.08 80.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.71 -36.96 77.6 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.81 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . 0.402 HD22 HD22 ' D' ' 34' ' ' ASN . 7.7 t-20 -64.79 -43.33 93.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.416 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.21 -44.38 84.04 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -61.19 -44.98 96.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.675 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.04 -43.88 95.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . 0.402 HD22 HD22 ' D' ' 30' ' ' ASN . 95.5 m-20 -62.32 -46.92 86.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.173 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.93 -43.99 97.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.34 -41.75 98.89 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.39 -39.26 94.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.06 -43.33 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.72 -38.73 91.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.63 -42.64 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.26 -39.49 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.97 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.99 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.31 -37.08 85.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.56 -41.52 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.48 -36.59 78.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.73 -43.1 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.89 -42.72 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.84 -44.9 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.85 -40.49 96.68 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.199 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.31 -38.75 92.15 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.916 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 . . . . . 0 CA--C 1.52 -0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -33.11 74.95 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.073 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.2 -41.53 90.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.98 -47.19 81.34 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.62 -37.28 78.2 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.808 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . 0.42 HD22 HD22 ' E' ' 34' ' ' ASN . 7.7 t-20 -64.5 -43.48 93.99 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.384 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.11 -44.35 84.6 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.05 -45.04 96.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.803 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.11 -43.83 95.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.697 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . 0.42 HD22 HD22 ' E' ' 30' ' ' ASN . 95.8 m-20 -62.29 -46.83 86.99 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -62.09 -43.83 97.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.41 -41.82 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.77 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.45 -39.15 93.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.069 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.23 -43.16 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.59 -42.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.2 -39.82 94.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.05 -41.69 99.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.784 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.05 -43.34 98.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.31 -36.78 84.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.8 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.87 -41.29 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 70.7 m -60.74 -36.53 79.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . 0.417 HG21 HD11 ' E' ' 47' ' ' ILE . 37.5 mm -63.55 -43.12 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.92 -44.95 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.167 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.2 mmm -63.78 -40.55 96.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.188 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.37 -38.73 92.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.922 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.48 -42.89 70.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.001 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.53 -50.81 72.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.153 0.502 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.19 -39.86 95.86 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.786 -0.82 . . . . 2.05 108.786 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.36 -39.42 75.95 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.245 -1.343 . . . . 2.12 108.211 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -64.24 -41.25 97.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.997 -1.001 . . . . 2.53 110.455 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.35 -47.11 71.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.25 -0.58 . . . . 2.43 111.686 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -60.03 -42.58 94.7 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.442 -0.503 . . . . 2.53 111.323 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.92 -44.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.8 -0.636 . . . . 2.32 110.943 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -62.71 -48.48 79.06 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.275 -0.57 . . . . 2.21 110.357 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -61.26 -42.0 97.88 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.834 -0.346 . . . . 2.46 110.319 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -64.91 -41.71 95.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.104 0.478 . . . . 2.45 110.766 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.1 -38.97 89.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.514 -0.766 . . . . 2.21 109.735 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 108.204 -1.036 . . . . 2.09 108.204 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.8 -41.93 87.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.271 -0.64 . . . . 2.3 109.271 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mt -64.15 -43.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.93 -47.83 84.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.485 -0.931 . . . . 2.4 108.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.66 -43.13 97.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.98 -0.378 . . . . 2.23 109.98 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.88 -43.06 90.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.305 -0.628 . . . . 2.26 109.305 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.31 -40.65 96.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.746 -0.661 . . . . 2.37 109.607 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.05 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.18 -0.674 . . . . 2.43 109.18 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -60.93 -37.92 83.97 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.61 -0.723 . . . . 2.46 110.064 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.45 -39.79 83.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.515 -0.766 . . . . 2.25 110.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.25 -43.12 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.703 0.763 . . . . 2.4 108.984 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.14 -44.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.494 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.1 mtt -63.69 -43.58 96.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.863 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.45 -38.95 78.01 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.256 0.551 . . . . 0.0 109.842 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.625 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.53 -42.93 70.57 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.89 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.82 -46.69 89.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.903 0.382 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.68 -39.45 88.13 Favored 'General case' 0 CA--C 1.493 -1.227 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.97 -37.95 75.14 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.649 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -64.79 -43.02 94.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.71 -45.65 81.96 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.072 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.91 -44.36 92.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.723 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.12 -46.76 85.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.967 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.94 -43.99 90.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.08 -39.2 93.55 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.987 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.22 -42.52 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.0 -41.15 95.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.39 -43.43 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.933 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.43 -41.05 98.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.892 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -43.13 99.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.84 -40.98 97.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.54 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.2 -44.15 99.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.51 -37.98 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.831 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.27 -42.52 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.16 -42.27 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 CA-C-O 121.529 0.68 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.15 -44.29 95.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.593 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.23 -43.35 95.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.758 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.75 -39.32 76.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.255 0.55 . . . . 0.0 109.627 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.217 -0.61 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.613 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -70.48 -42.57 71.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.921 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.8 -46.85 88.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.183 0.516 . . . . 0.0 111.518 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.81 -39.51 87.74 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.87 -37.81 74.6 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.658 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -65.1 -43.07 93.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.58 -45.64 82.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.47 -47.43 86.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.289 -0.564 . . . . 0.0 109.998 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.83 -44.23 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.729 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.07 -46.72 86.14 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.85 -43.87 91.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.164 0.507 . . . . 0.0 110.545 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.19 -39.26 93.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.15 -42.57 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.93 -41.34 96.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 26.9 mt -64.38 -43.24 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.798 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.53 -44.79 96.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.09 -40.89 98.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.956 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.46 -43.1 99.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.94 -40.83 97.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.521 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.38 -44.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.8 -37.74 87.9 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.785 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.39 -42.39 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.23 -42.3 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 121.534 0.683 . . . . 0.0 109.524 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.17 -44.08 95.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 34.2 mtt -64.45 -43.43 94.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.69 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.51 -39.87 77.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.659 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.481 -179.659 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.73 -42.51 70.44 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.981 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.87 -46.66 89.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 111.492 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.07 -39.54 86.86 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.67 -37.74 73.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.631 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.07 -43.22 92.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.43 -45.64 83.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.54 -47.32 86.71 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.82 -44.41 92.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.94 -46.77 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.57 -41.69 99.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.962 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 m -64.75 -43.82 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.64 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.29 -39.29 93.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.22 -42.45 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.01 -41.29 96.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.34 -43.34 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.804 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.15 -40.96 99.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.953 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.44 -42.98 99.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.0 -40.93 97.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.515 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.25 -44.01 99.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.612 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.83 -37.67 87.69 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.704 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.59 -42.37 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.13 -42.23 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.487 0.66 . . . . 0.0 109.544 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.19 -44.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.672 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.18 -43.43 95.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.779 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.73 -39.68 76.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.48 -179.752 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.41 -42.7 71.3 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.067 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.74 -46.86 88.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.969 0.414 . . . . 0.0 111.413 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.71 -39.62 88.1 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -57.85 -38.05 74.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.915 -1.493 . . . . 0.0 108.551 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.71 -43.14 94.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.894 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.56 -45.88 81.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.42 -47.26 86.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.04 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.84 -44.33 92.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.794 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.05 -46.62 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.767 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.75 -41.44 99.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.85 -44.05 91.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.21 -39.05 93.18 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.954 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.29 -42.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.83 -41.27 95.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 26.7 mt -64.49 -43.3 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.944 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -61.35 -44.63 96.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.3 -41.18 98.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.91 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.24 -42.94 99.49 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.11 -41.02 97.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.418 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.11 -44.12 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.74 -37.78 87.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.819 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.3 -42.37 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.144 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.38 -42.08 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-O 121.468 0.652 . . . . 0.0 109.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -43.96 94.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.664 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 34.7 mtt -64.38 -43.57 94.07 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.57 -39.51 77.33 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 109.695 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.557 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.58 -41.42 96.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -63.04 -46.68 86.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.324 0.583 . . . . 0.0 109.735 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 21.7 mt -64.26 -41.98 96.69 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 108.767 -0.827 . . . . 2.19 108.767 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -57.64 -41.61 81.75 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 113.644 -1.616 . . . . 2.23 108.006 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.37 -42.98 99.84 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.066 -0.97 . . . . 2.36 110.255 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.27 -45.08 81.73 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.244 -0.582 . . . . 2.34 111.22 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.83 -43.93 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.415 -0.514 . . . . 2.48 111.243 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.56 -44.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.189 -0.46 . . . . 2.37 111.359 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -63.0 -48.17 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.193 -0.603 . . . . 2.33 110.224 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.89 -42.4 99.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.957 -0.297 . . . . 2.39 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.29 -0.564 . . . . 2.32 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.31 -39.23 93.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.542 -0.754 . . . . 2.19 109.604 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.31 -44.83 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.539 -0.911 . . . . 2.22 108.539 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.47 -42.41 96.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.652 -0.419 . . . . 2.31 110.369 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.439 ' CD1' ' SG ' ' E' ' 41' ' ' CYS . 35.8 mm -63.49 -42.61 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.298 -0.631 . . . . 2.3 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.435 ' SG ' ' CD1' ' B' ' 40' ' ' ILE . 83.1 m -59.26 -45.13 92.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.918 -0.771 . . . . 2.35 108.918 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.05 -43.09 99.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.289 -0.414 . . . . 2.23 110.493 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.0 -43.26 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.696 -0.402 . . . . 2.25 110.547 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.05 -40.02 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.506 -0.478 . . . . 2.41 109.837 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.05 -43.58 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 108.996 -0.742 . . . . 2.38 108.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.4 m -63.36 -34.9 78.72 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 115.859 -0.61 . . . . 2.33 110.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -39.47 84.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.478 0.656 . . . . 2.28 110.2 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.909 -1.041 . . . . 2.24 109.646 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.98 -48.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.054 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.4 mmm -62.35 -47.78 82.71 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.129 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.35 -39.24 78.24 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.273 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.221 -0.429 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.619 -179.73 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.16 -41.79 97.0 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.39 -44.62 94.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.339 0.59 . . . . 0.0 110.49 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -65.97 -42.27 90.12 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.06 -38.43 76.3 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.673 -1.603 . . . . 0.0 108.75 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.52 -44.09 91.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.478 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.75 -43.76 87.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -61.11 -47.52 85.88 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.386 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.75 -44.52 93.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.67 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.57 -47.48 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -63.22 -42.28 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.324 -0.551 . . . . 0.0 109.628 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 mt -62.56 -39.58 94.1 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.884 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.2 -43.44 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.62 -42.19 98.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.053 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.435 ' CD1' ' SG ' ' A' ' 41' ' ' CYS . 36.1 mm -63.83 -42.91 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.44 ' SG ' ' CD1' ' C' ' 40' ' ' ILE . 80.2 m -59.76 -43.77 94.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.405 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.81 -40.87 97.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.4 -43.51 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -63.33 -35.5 80.58 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.898 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.44 -42.19 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.78 -42.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.82 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.53 -46.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.37 -48.07 79.46 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.6 -39.52 77.21 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.345 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.599 -179.681 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -64.43 -41.58 96.5 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.442 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -63.57 -44.47 93.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.319 0.581 . . . . 0.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.0 -42.12 90.17 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.21 -38.68 77.27 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.595 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.19 -44.41 92.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.46 -43.7 89.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.908 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.29 -47.53 85.57 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.244 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.78 -44.4 93.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.712 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.65 -47.26 82.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.408 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.53 -42.14 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.077 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -62.73 -43.88 97.67 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.623 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.52 -39.49 93.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.895 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.3 -43.46 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.77 -41.96 98.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.064 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.44 ' CD1' ' SG ' ' B' ' 41' ' ' CYS . 36.4 mm -63.94 -42.67 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' D' ' 40' ' ' ILE . 80.7 m -59.87 -43.83 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.82 -41.62 99.39 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.541 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.84 -43.16 99.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.73 -40.87 97.81 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.5 -43.45 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.41 -35.4 80.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.856 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.45 -42.11 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.9 -42.55 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.9 t -68.48 -46.02 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.904 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -63.54 -48.19 78.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.742 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.72 -39.34 76.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.327 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.583 -179.759 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.52 -41.66 96.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -63.42 -44.39 94.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.284 0.564 . . . . 0.0 110.501 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.07 -42.35 89.55 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.2 -38.29 76.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.701 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.3 -44.35 91.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.493 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.55 -43.83 88.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.734 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.25 -47.53 85.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.369 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.2 mt -65.66 -44.52 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.66 -47.4 81.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.47 -42.05 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.08 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 m -62.58 -44.13 97.09 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.546 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.49 -39.28 92.95 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.822 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.47 -43.57 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.972 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' SG ' ' C' ' 41' ' ' CYS . 36.1 mm -63.87 -42.86 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' E' ' 40' ' ' ILE . 83.0 m -59.72 -44.24 93.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.54 -41.63 99.01 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.74 -43.38 98.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.83 -40.84 97.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.41 -43.42 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.48 -35.45 80.5 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.925 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.31 -42.24 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.682 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.31 -46.22 81.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.963 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 81.6 mmm -63.46 -48.2 78.68 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.658 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.65 -39.2 77.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.387 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.218 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.42 -41.74 96.44 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -63.45 -44.19 95.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -42.14 88.53 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.15 -38.66 77.02 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.561 -1.654 . . . . 0.0 108.623 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.22 -44.32 92.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.618 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.49 -43.89 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.665 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -60.98 -47.61 85.65 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.411 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.68 -44.56 93.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.747 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.55 -47.49 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.327 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -63.44 -41.9 98.66 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.184 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 m -62.85 -43.86 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.4 -39.72 94.18 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.776 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.07 -43.46 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.63 -42.28 98.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.985 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.443 ' CD1' ' SG ' ' D' ' 41' ' ' CYS . 36.9 mm -63.8 -42.75 96.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 40' ' ' ILE . 79.6 m -59.73 -44.0 93.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.71 -41.62 99.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.469 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.87 -43.13 99.61 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.426 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.36 -43.25 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.68 -35.39 80.38 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.944 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.45 -42.34 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.7 -42.59 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.645 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.59 -46.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.893 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.62 -48.07 78.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.582 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.56 -39.45 77.39 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.475 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.22 -0.487 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.682 -179.774 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.16 0.505 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -61.1 -41.57 96.92 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.494 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.22 -44.72 91.03 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.56 -43.69 98.4 Favored 'General case' 0 CA--C 1.497 -1.059 0 N-CA-C 108.552 -0.907 . . . . 1.96 108.552 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.416 HE22 ' NE2' ' E' ' 29' ' ' GLN . 56.5 tt0 -58.76 -39.46 81.04 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 113.501 -1.681 . . . . 2.15 109.07 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -64.35 -40.98 96.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.791 -1.095 . . . . 2.61 110.415 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.91 -48.1 59.88 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 120.204 -0.598 . . . . 2.44 111.367 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -59.39 -42.48 91.82 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.607 -0.437 . . . . 2.51 111.912 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.1 -44.73 77.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.738 -0.665 . . . . 2.33 110.793 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.41 -46.57 87.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.064 -0.654 . . . . 2.19 110.215 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.25 -43.26 99.24 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.908 -0.317 . . . . 2.46 110.209 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.68 -39.98 95.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.038 0.446 . . . . 2.53 110.193 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.12 -37.97 87.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.228 -0.896 . . . . 2.09 109.886 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.34 -44.81 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 N-CA-C 108.588 -0.893 . . . . 2.03 108.588 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.23 -41.55 84.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.383 -0.599 . . . . 2.41 109.383 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.58 -43.56 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.919 -0.4 . . . . 2.34 109.919 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.7 m -61.12 -46.48 90.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.002 -0.74 . . . . 2.33 109.002 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.94 -42.42 98.16 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.558 -0.534 . . . . 2.3 109.558 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.71 -42.17 96.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.255 -0.646 . . . . 2.2 109.255 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.85 -40.6 96.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.888 -0.412 . . . . 2.38 109.888 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.74 -43.74 96.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.306 0.574 . . . . 2.53 109.569 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -65.36 -34.55 78.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.496 -0.775 . . . . 2.34 110.124 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.39 -40.89 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 2.34 109.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.74 -40.19 87.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 114.956 -1.02 . . . . 2.42 108.946 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.55 -44.05 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.1 mmm -65.33 -40.55 93.83 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.46 -41.18 96.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.775 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.89 -42.5 93.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.338 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.13 -43.47 95.16 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 122.356 1.074 . . . . 0.0 108.276 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.412 ' NE2' HE22 ' C' ' 29' ' ' GLN . 56.2 tt0 -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.039 -1.891 . . . . 0.0 109.265 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -63.95 -44.81 91.68 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.799 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.19 -45.42 76.99 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.91 -47.07 88.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.292 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.36 -44.3 90.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.705 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -63.25 -46.28 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.423 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.13 -41.88 97.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.047 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.33 -38.58 91.56 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.978 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.37 -43.14 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.98 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mt -63.87 -43.58 97.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.307 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.22 -41.34 99.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.2 -42.08 98.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.279 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.62 -41.04 98.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.015 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.26 -44.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.81 -34.3 78.03 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.043 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.06 -41.82 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.82 -44.5 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.69 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.3 mmm -64.16 -41.81 97.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.394 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.5 -41.03 96.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.14 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 . . . . . 0 CA--C 1.517 -0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.12 -42.35 94.6 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.365 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.62 -41.08 96.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.23 -43.78 93.88 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.424 ' NE2' HE22 ' D' ' 29' ' ' GLN . 56.1 tt0 -59.31 -38.27 79.86 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.184 -1.826 . . . . 0.0 109.316 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -64.05 -44.67 91.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.21 -45.16 77.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.279 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.86 -47.48 86.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.376 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -44.32 91.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.79 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.06 -46.28 88.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.33 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.17 -42.8 99.61 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.992 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 9.0 m -64.09 -41.79 97.16 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.998 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.31 -38.29 90.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.02 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.55 -43.01 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.19 -40.8 91.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.91 -43.66 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.116 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 92.2 m -62.04 -43.49 98.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.09 -41.98 98.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.174 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.64 -41.16 98.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.21 -44.24 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -64.88 -34.38 78.26 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.963 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.04 -43.39 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.24 -41.53 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.84 -44.47 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.597 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmm -64.31 -41.37 96.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.6 -40.71 96.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.216 -0.667 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.983 179.848 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.86 -42.53 93.87 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -64.61 -40.65 95.88 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.599 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 24.1 mt -64.4 -43.89 93.01 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . 0.424 HE22 ' NE2' ' C' ' 29' ' ' GLN . 56.3 tt0 -59.13 -38.26 79.2 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.085 -1.871 . . . . 0.0 109.264 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.14 -44.76 91.17 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.637 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.33 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.76 -47.5 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.281 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.98 -44.4 92.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.834 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.04 -46.34 88.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.33 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.2 -41.85 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.3 -38.4 90.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.077 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.52 -42.99 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.79 -43.61 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.183 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.94 -43.61 98.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.32 -41.59 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.238 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.66 -41.1 98.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.29 -44.52 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.34 -34.63 78.59 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.238 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -63.82 -43.69 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.77 -41.74 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.74 -44.4 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.674 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 38.7 mmm -64.45 -41.41 96.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.57 -40.84 96.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.938 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.052 0.454 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.04 -42.39 94.34 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.309 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.76 -40.87 96.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.14 0.495 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 mt -64.25 -43.74 93.95 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . 0.416 ' NE2' HE22 ' A' ' 29' ' ' GLN . 56.1 tt0 -59.23 -38.24 79.5 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.2 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.0 -44.84 91.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.877 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.15 -45.23 77.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.33 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.12 -47.03 88.14 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.383 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.44 -44.43 90.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.687 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.33 -46.01 88.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.418 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -62.16 -42.79 99.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 m -64.18 -41.95 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.983 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -64.19 -38.44 91.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.069 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.43 -42.9 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.9 -40.85 90.18 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.99 -43.68 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.243 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.0 -43.73 98.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.897 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.26 -41.4 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.98 -42.13 98.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.293 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.08 -44.49 97.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.72 -34.24 77.86 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.092 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.14 -43.26 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.18 -41.75 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.066 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.96 -44.28 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.576 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 37.6 mmm -64.57 -41.32 96.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.53 -41.05 96.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.217 -0.642 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.045 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.528 0.68 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -64.92 -36.4 84.24 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.733 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.13 -44.0 93.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.44 -43.48 93.12 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-O 121.969 0.89 . . . . 1.88 108.874 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -38.51 84.38 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.451 -1.704 . . . . 2.56 108.612 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.2 -42.13 93.86 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.822 -1.081 . . . . 2.36 110.64 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -49.34 70.59 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.838 -0.745 . . . . 2.3 111.893 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 7.4 t80 -57.8 -52.32 65.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.549 -0.86 . . . . 2.67 109.704 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.93 -45.51 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.574 -0.45 . . . . 2.26 111.49 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -59.02 -52.15 66.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.041 -0.664 . . . . 2.27 109.827 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -57.52 -43.69 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.776 -0.369 . . . . 2.65 110.919 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 95.1 m -66.29 -36.51 83.14 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.291 -0.563 . . . . 2.12 111.175 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 2.04 109.397 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.81 -43.79 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 N-CA-C 109.166 -0.679 . . . . 2.5 109.166 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.74 -41.74 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.531 -0.304 . . . . 2.35 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.13 -42.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.227 -0.657 . . . . 2.24 109.227 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.13 -43.02 99.52 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.774 -0.824 . . . . 2.31 108.774 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.85 -42.1 99.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.914 -0.402 . . . . 2.18 109.914 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.34 -43.17 92.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.146 -0.687 . . . . 2.36 109.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.21 -38.83 92.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 2.42 109.663 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.97 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.271 -0.64 . . . . 2.24 109.271 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.99 -38.68 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.401 -0.592 . . . . 2.31 109.401 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.71 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.736 -0.665 . . . . 2.38 109.563 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.54 -44.12 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 115.554 -0.748 . . . . 2.53 109.163 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.9 -44.49 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.547 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mtt -63.9 -39.01 93.19 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.351 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.09 -38.89 92.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.904 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.32 -39.81 95.59 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.209 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.79 -39.34 93.93 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.14 -43.44 98.36 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -60.47 -38.79 85.38 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 113.191 -1.822 . . . . 0.0 108.726 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.95 -43.02 94.05 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.5 -46.75 81.6 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.633 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 7.9 t80 -61.38 -48.98 78.8 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.331 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.37 -44.29 97.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.03 -48.55 81.27 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.396 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.388 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 96.1 m -65.95 -37.48 86.12 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.203 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.59 -41.99 95.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.02 -43.34 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.55 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.06 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.81 -41.77 98.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.212 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.65 -40.42 96.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.077 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.32 -42.95 99.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.58 -38.77 92.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.592 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -42.62 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.21 -38.63 87.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.39 -42.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.8 -42.69 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.678 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.3 -44.45 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 43.6 mtt -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.07 -38.78 92.29 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.66 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.959 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.44 -39.76 95.34 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.144 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.29 -43.4 97.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.51 -38.58 84.82 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.182 -1.827 . . . . 0.0 108.786 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.07 -43.06 93.47 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.62 -46.71 81.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.61 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.441 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 7.9 t80 -61.29 -48.9 79.28 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.377 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.46 -44.32 96.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.482 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -61.08 -48.51 81.35 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.0 -43.6 98.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.361 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 95.5 m -65.73 -37.55 86.71 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.244 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.6 -42.0 95.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.02 -43.41 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.615 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.09 -43.02 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.58 -41.89 98.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.159 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.59 -40.4 96.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.061 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.49 -42.87 99.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.657 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -42.63 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.15 -38.81 87.75 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.19 -42.81 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.359 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.86 -42.54 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.687 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.37 -44.44 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.93 -39.02 93.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.15 -38.96 92.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.921 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.28 -39.69 95.28 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.218 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.01 -39.24 94.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.15 -43.46 98.26 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.52 -38.77 85.49 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.127 -1.851 . . . . 0.0 108.666 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.04 -43.04 93.68 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.48 -46.75 81.7 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.616 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.445 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 7.8 t80 -61.3 -48.89 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.357 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.51 -44.23 96.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -61.09 -48.52 81.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.409 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.06 -43.51 98.78 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.445 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 94.1 m -65.77 -37.57 86.68 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.63 -42.01 96.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.08 -43.32 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.09 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.53 -41.85 97.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.238 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.66 -40.39 96.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.083 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.4 -43.04 99.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.46 -38.85 92.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.685 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.99 -42.66 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.1 -38.75 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.4 -42.61 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.87 -42.61 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.694 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.3 -44.47 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.37 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.6 mtt -63.82 -39.19 93.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.247 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.15 -38.86 92.59 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.13 -39.73 95.55 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -62.9 -39.3 94.08 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.16 -43.49 98.15 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -60.39 -38.92 85.49 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 113.143 -1.844 . . . . 0.0 108.711 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.78 -43.27 93.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.493 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -46.82 81.79 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.669 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . 0.442 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 7.9 t80 -61.22 -48.92 79.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.328 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.51 -44.19 96.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.544 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -61.14 -48.42 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.388 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.13 -43.62 98.59 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.346 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 95.5 m -65.74 -37.57 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.62 -41.99 95.94 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.58 -42.25 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.04 -42.94 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 87.2 m -61.69 -41.91 98.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.209 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.57 -40.39 96.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.41 -42.84 99.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.6 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.621 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mm -62.95 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.25 -38.72 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.28 -42.83 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.314 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.77 -42.63 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.724 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.35 -44.34 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.363 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.5 mtt -63.87 -39.16 93.54 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.281 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.13 -38.74 92.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.984 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -68.45 -32.93 73.28 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.699 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.45 -42.44 98.65 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.532 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.29 -41.93 89.08 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 108.301 -1.0 . . . . 2.22 108.301 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.54 -42.34 78.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.765 -1.561 . . . . 1.92 107.342 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -63.23 -43.38 98.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.532 -1.213 . . . . 2.55 110.944 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.71 -45.57 78.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.113 -0.635 . . . . 2.5 112.123 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.6 -45.24 94.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 2.48 111.889 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.95 -44.84 81.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.326 -0.55 . . . . 2.47 111.362 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.48 -46.14 87.55 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.06 -0.656 . . . . 2.24 110.457 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.81 -41.35 97.65 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.707 -0.397 . . . . 2.21 110.331 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.08 -39.0 89.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.012 -0.675 . . . . 2.5 110.303 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 mt -67.15 -39.62 86.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.708 -0.479 . . . . 2.4 109.708 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.86 -44.36 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 108.319 -0.993 . . . . 1.99 108.319 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.89 -41.09 77.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.636 . . . . 2.22 109.284 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 HG13 ' SG ' ' E' ' 41' ' ' CYS . 32.3 mt -63.1 -43.13 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.813 -0.81 . . . . 2.41 108.813 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.424 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.4 m -57.77 -47.75 81.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.163 -0.68 . . . . 2.29 109.163 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.02 -43.82 98.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.693 0.283 . . . . 2.26 110.257 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.82 -41.6 87.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 2.36 109.054 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.14 -39.0 93.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 2.21 109.477 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.38 -44.4 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.059 0 N-CA-C 109.097 -0.705 . . . . 2.36 109.097 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -57.43 -42.81 83.11 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.771 -0.649 . . . . 2.54 109.445 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -67.3 -39.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.499 -0.773 . . . . 2.11 110.692 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -61.0 -46.46 96.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 N-CA-C 108.417 -0.957 . . . . 2.55 108.417 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.72 -42.86 93.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.338 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.0 mtt -65.49 -40.46 93.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.176 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -29.04 63.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD13 ' SD ' ' B' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.444 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.043 0.449 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.2 -37.27 83.38 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.382 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.07 -42.61 94.94 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -65.78 -41.98 91.33 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.77 -39.19 76.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.888 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -65.36 -45.7 83.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.158 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -45.02 89.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.35 -49.26 77.67 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.127 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.69 -45.25 92.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.773 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.75 -45.18 91.04 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.3 -41.99 98.98 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.934 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -65.19 -40.64 94.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.62 -40.11 92.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 109.91 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.23 -41.77 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.33 -40.94 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.424 HG13 ' SG ' ' A' ' 41' ' ' CYS . 31.7 mt -62.86 -43.09 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.456 ' SG ' HG13 ' C' ' 40' ' ' ILE . 63.1 m -59.14 -45.1 91.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.632 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.91 -41.6 99.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.09 -39.0 93.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.475 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.59 -43.2 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.79 -42.53 89.28 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.95 -40.21 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.723 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 21.8 mt -60.86 -45.32 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.18 -42.77 88.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.41 ' SD ' HD13 ' A' ' 52' ' ' LEU . 17.9 mtt -65.42 -40.49 93.4 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.096 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -28.56 62.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.408 HD13 ' SD ' ' C' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.656 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -66.93 -37.37 84.19 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.91 -42.56 94.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -65.82 -42.08 91.05 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.56 -39.52 76.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.673 -1.603 . . . . 0.0 107.927 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -65.04 -45.75 84.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.206 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.37 -44.68 90.63 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.57 -49.46 76.55 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.033 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.61 -44.94 93.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.824 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.06 -44.91 91.0 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.895 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 87.0 m -65.32 -40.52 93.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.74 -39.93 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.47 -41.62 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.44 -40.72 87.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.456 HG13 ' SG ' ' B' ' 41' ' ' CYS . 31.0 mt -63.09 -42.98 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.46 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.5 m -59.06 -45.21 91.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.806 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.76 -41.65 99.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.449 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.49 -41.54 97.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.08 -39.16 93.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.391 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.51 -43.12 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -58.89 -42.59 89.88 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.91 -40.44 85.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 22.0 mt -60.69 -45.27 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.27 -42.72 88.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' MET . . . . . 0.408 ' SD ' HD13 ' B' ' 52' ' ' LEU . 18.4 mtt -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.186 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.74 62.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 117.616 -1.183 . . . . 0.0 109.775 179.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.969 0.414 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.1 -37.39 83.84 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.02 -42.66 94.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.56 -42.23 92.08 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.957 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -65.23 -45.72 83.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.132 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -44.75 90.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.49 -49.49 76.54 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.102 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.47 -45.09 93.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.826 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -64.0 -45.06 90.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.826 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.38 -41.64 98.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.913 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.2 m -65.6 -40.41 92.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.88 -39.86 91.06 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.4 -41.7 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.44 -40.79 87.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.46 HG13 ' SG ' ' C' ' 41' ' ' CYS . 30.9 mt -63.02 -43.07 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' E' ' 40' ' ' ILE . 63.5 m -59.15 -45.03 92.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.795 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.95 -41.5 99.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -64.01 -39.09 93.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.424 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.53 -43.12 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.81 -42.77 89.91 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.68 -40.45 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.68 -45.36 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.2 -42.71 88.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.215 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 17.9 mtt -65.43 -40.3 93.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.162 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -28.66 62.74 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.681 179.734 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.11 -37.2 83.48 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.132 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.08 -42.75 95.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.194 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.56 -42.12 92.19 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.7 -39.26 76.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 113.688 -1.596 . . . . 0.0 107.937 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -65.34 -45.69 83.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.173 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.32 -44.91 90.08 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.307 -0.557 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -61.41 -49.14 78.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.077 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.82 -45.04 92.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.821 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.81 -45.14 90.97 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.35 -41.85 98.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 87.2 m -65.42 -40.61 93.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.71 -39.79 91.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.36 -41.82 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.35 -40.91 87.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.459 HG13 ' SG ' ' D' ' 41' ' ' CYS . 31.0 mt -62.9 -43.09 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.447 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.1 m -59.2 -44.97 92.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.738 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.98 -41.8 99.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.18 -39.15 93.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.43 -43.3 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -58.76 -42.45 88.91 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.93 -40.37 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.8 -45.18 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.12 -42.95 88.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 17.8 mtt -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.197 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 117.542 -1.218 . . . . 0.0 109.766 179.747 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.943 0.401 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -65.38 -34.72 78.98 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.31 -42.16 98.99 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.44 -42.85 99.4 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 108.118 -1.068 . . . . 2.04 108.118 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -59.97 -40.25 88.42 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 113.994 -1.457 . . . . 2.3 108.166 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -64.01 -43.07 96.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.366 -0.834 . . . . 2.43 110.909 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.71 -46.21 72.89 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.276 -0.57 . . . . 2.39 110.609 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.96 -43.22 95.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.941 0.401 . . . . 2.44 111.586 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -70.46 -43.82 77.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.06 -0.518 . . . . 2.29 110.781 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.98 -50.05 74.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.14 -0.482 . . . . 2.32 110.524 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -63.73 -41.97 97.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.314 -0.403 . . . . 2.49 110.878 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.01 -42.28 94.58 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.326 -0.55 . . . . 2.34 110.829 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.584 -0.525 . . . . 2.18 109.584 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.51 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.197 -1.038 . . . . 2.2 108.197 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.56 -39.68 91.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.909 -0.587 . . . . 2.34 109.853 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.26 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.619 -0.882 . . . . 2.34 108.619 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.07 -42.21 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.247 -0.888 . . . . 2.17 109.114 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.34 -42.38 99.34 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.72 -0.474 . . . . 2.16 109.72 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.5 -42.97 93.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.879 -0.786 . . . . 2.44 108.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.14 -39.17 93.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.508 -0.553 . . . . 2.34 109.508 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.1 -43.38 97.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 109.146 -0.687 . . . . 2.24 109.146 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -58.22 -40.52 81.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 2.31 109.802 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.7 -41.65 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.088 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.72 -46.09 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 N-CA-C 108.282 -1.007 . . . . 2.57 108.282 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.76 -46.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.302 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.97 -42.0 97.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -21.45 43.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.233 0.539 . . . . 0.0 110.244 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.383 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.109 0.48 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.14 -37.86 88.99 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.55 -39.98 93.05 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.13 -43.04 99.51 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.46 -38.53 84.52 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.711 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -64.79 -44.13 90.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.565 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.68 -43.98 78.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.26 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.5 -48.18 82.88 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.25 -43.73 91.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -61.46 -49.47 76.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.34 -42.46 98.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -64.41 -44.76 90.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.562 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.72 -38.51 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.878 0.371 . . . . 0.0 110.065 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.17 -43.83 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.84 -39.86 95.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.318 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.81 -42.57 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -62.34 -41.26 98.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.703 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.6 mt -62.56 -41.45 98.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.12 -42.9 99.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.22 -38.92 92.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.487 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.62 -42.41 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.23 -40.28 85.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.801 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.43 -43.11 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.45 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 109.409 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.72 -44.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.129 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 81.0 mmm -65.8 -41.81 91.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.945 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -21.47 44.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.245 0.545 . . . . 0.0 110.104 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.117 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -64.03 -37.96 89.35 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -40.03 92.85 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.547 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.98 -42.99 99.99 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.45 -38.57 84.57 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.558 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -65.0 -43.94 90.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.71 -44.07 78.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.35 -47.84 84.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.83 -43.47 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -61.48 -49.9 74.92 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.599 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.3 -42.17 99.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.761 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 63.8 m -64.5 -45.18 88.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.458 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.2 -39.02 93.44 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.102 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.83 -43.92 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.83 -39.94 95.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.682 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.61 -43.17 97.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.1 -38.92 92.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.523 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.64 -42.11 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.66 -40.26 87.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.708 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.31 -42.92 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.7 -42.56 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.507 0.67 . . . . 0.0 109.231 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.44 -44.86 97.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.34 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 80.5 mmm -65.46 -41.94 92.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.079 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.76 -21.71 44.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.309 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.983 0.421 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.72 -38.14 90.01 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.419 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.17 -42.99 99.5 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.44 -38.49 84.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.52 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -64.92 -44.21 90.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.43 -44.11 79.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.46 -47.88 84.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.191 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.69 -43.42 90.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -61.39 -49.98 74.71 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.692 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.21 -42.14 99.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -64.78 -44.9 88.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.398 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.064 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.85 -43.95 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.76 -39.94 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.438 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.8 -42.55 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.48 -41.13 98.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.46 -41.6 98.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.836 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -60.65 -43.1 98.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.24 -39.03 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.586 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.58 -42.25 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.66 -40.16 86.81 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.27 -42.84 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -42.58 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.35 -44.98 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.056 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.261 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.6 mmm -65.33 -41.99 93.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.023 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -21.75 43.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 110.05 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.427 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.05 -37.85 88.92 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -61.41 -40.09 93.12 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.12 -42.95 99.62 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.42 -38.6 84.56 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.639 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -64.82 -44.08 91.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.76 -43.78 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.87 -48.19 82.96 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.228 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.32 -43.52 91.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.243 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.57 -49.6 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.633 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.47 -42.09 98.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 62.0 m -64.57 -45.15 88.3 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.4 -38.75 92.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.84 -43.88 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.68 -40.06 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.462 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.72 -42.56 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.55 -41.19 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.48 -41.55 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -43.16 99.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.16 -38.74 92.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.518 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.66 -42.4 95.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.31 -40.43 86.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.602 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.18 -42.9 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.75 -42.31 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.391 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.72 -44.68 96.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 81.2 mmm -65.56 -41.8 92.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.979 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -21.48 43.34 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.409 0.623 . . . . 0.0 110.168 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 48.6 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.172 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 . . . . . 0 CA--C 1.513 -0.45 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.66 -41.53 86.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.566 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -65.39 -40.96 94.11 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.463 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.9 -43.3 93.3 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.179 -1.045 . . . . 2.16 108.179 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -60.24 -43.7 95.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 113.864 -1.516 . . . . 2.2 108.447 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.6 -45.08 94.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.001 -1.0 . . . . 2.39 111.01 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.46 -44.99 77.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.584 -0.446 . . . . 2.37 111.457 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.866 0.321 . . . . 2.43 111.866 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.12 -43.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 120.725 -0.39 . . . . 2.37 110.666 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.02 -49.55 75.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.433 -0.507 . . . . 2.29 110.546 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.71 -40.87 98.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.914 -0.315 . . . . 2.39 110.264 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 m -63.31 -42.43 99.02 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.357 -0.537 . . . . 2.33 110.198 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.67 -39.09 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 2.19 110.091 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.95 -43.77 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.916 -0.772 . . . . 2.15 108.916 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.59 -40.95 93.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 2.28 109.791 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 40' ' ' ILE . 36.4 mm -63.38 -42.27 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.975 -0.75 . . . . 2.36 108.975 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.99 -46.0 92.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.436 -0.802 . . . . 2.32 109.096 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.11 -42.45 99.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.471 -0.331 . . . . 2.2 110.316 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -59.39 -42.87 92.71 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.743 -0.465 . . . . 2.26 109.743 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.84 -38.68 92.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.612 -0.514 . . . . 2.29 109.612 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.56 -43.1 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.158 -0.682 . . . . 2.28 109.158 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.48 -39.04 89.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.897 -0.592 . . . . 2.33 109.539 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.24 -41.93 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.92 -0.582 . . . . 2.17 109.954 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.01 -42.34 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.521 0.677 . . . . 2.34 109.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.68 -44.06 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.792 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.95 -41.89 99.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.136 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.21 -20.6 51.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.703 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.309 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.39 -42.3 86.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.315 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -64.62 -41.33 96.27 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.56 -43.0 95.3 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.97 -39.83 93.52 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.238 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.19 -45.72 83.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.456 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.63 -43.66 79.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.0 -48.09 83.45 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.778 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.81 -44.01 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -62.55 -48.86 77.66 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.76 -40.77 98.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.28 -44.58 94.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.71 -39.3 91.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.9 -42.71 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.55 -40.54 95.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.445 HG22 HD13 ' B' ' 40' ' ' ILE . 34.8 mm -63.48 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.38 -44.66 96.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.688 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.11 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.392 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.34 -42.94 99.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.666 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.96 -38.95 92.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.38 -43.19 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.5 -38.67 88.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.584 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.13 -43.44 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.6 -41.72 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-O 121.519 0.676 . . . . 0.0 109.699 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.24 -43.68 95.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.43 -41.7 98.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.018 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.43 -20.93 50.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.746 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.083 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 . . . . . 0 CA--C 1.513 -0.471 0 CA-C-O 121.12 0.486 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.36 -42.3 86.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.183 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.652 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.29 -43.16 95.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.99 -39.88 93.72 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.172 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.3 -45.47 84.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.43 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.61 -43.35 80.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.088 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.25 -48.35 81.86 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.44 -44.21 90.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.24 -49.23 76.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.52 -40.84 98.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 m -63.23 -44.64 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.249 -0.581 . . . . 0.0 109.826 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.91 -39.06 90.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.269 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.99 -42.64 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.53 -40.57 95.16 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.424 HG22 HD13 ' C' ' 40' ' ' ILE . 35.2 mm -63.58 -42.59 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 73.8 m -61.37 -44.59 96.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.68 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.43 -42.87 99.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.85 -38.83 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.63 -43.21 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.34 -38.82 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 CA-C-O 121.399 0.619 . . . . 0.0 109.851 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.37 -43.57 94.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.55 -41.6 98.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.984 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.43 -20.71 50.49 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.197 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 . . . . . 0 CA--C 1.513 -0.462 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -58.56 -42.37 87.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.236 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -64.66 -41.2 96.25 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.43 -43.13 95.27 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.73 -39.96 93.39 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.182 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.33 -45.58 83.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.567 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.79 -43.37 79.88 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.982 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.03 -48.2 82.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.73 -44.07 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -62.28 -48.87 77.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.991 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -63.06 -40.47 97.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.836 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.45 -44.78 93.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.701 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.82 -38.98 90.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.19 -42.43 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.73 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.436 HG22 HD13 ' D' ' 40' ' ' ILE . 34.7 mm -63.55 -42.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.52 -44.54 96.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.695 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.47 -40.46 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.5 -42.91 99.52 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.76 -38.96 93.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.28 -43.33 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.31 -38.88 88.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.574 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.21 -43.4 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.28 -42.07 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 CA-C-O 121.402 0.62 . . . . 0.0 109.749 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.07 -43.76 95.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.54 -41.56 98.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.66 -20.55 49.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.616 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.568 0 CA-C-O 117.877 -1.058 . . . . 0.0 110.191 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 . . . . . 0 CA--C 1.512 -0.498 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -58.4 -42.25 86.71 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -64.81 -41.26 95.92 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.416 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.27 -43.35 95.1 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.79 -40.01 93.7 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.144 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.2 -45.64 83.93 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.498 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.77 -43.48 79.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.693 0.283 . . . . 0.0 110.515 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.85 -44.23 89.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.28 -48.5 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.04 -40.71 98.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.38 -44.64 94.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.78 -39.07 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.32 -42.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.42 -40.63 95.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.452 HG22 HD13 ' E' ' 40' ' ' ILE . 36.3 mm -63.65 -42.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -61.57 -44.56 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.703 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.25 -40.79 98.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -61.24 -42.66 98.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.581 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.29 -38.76 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.51 -43.06 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.52 -38.82 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.656 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.05 -43.52 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.38 -41.95 94.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.434 0.635 . . . . 0.0 109.818 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.12 -43.73 95.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.57 -41.64 98.37 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.879 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.56 -20.37 50.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.701 -1.142 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 . . . . . 0 N--CA 1.461 0.122 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -64.05 -35.79 81.89 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.2 -38.0 89.43 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.528 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.24 -43.33 99.06 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 108.018 -1.104 . . . . 2.15 108.018 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.8 -42.35 97.42 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.156 -1.384 . . . . 2.58 107.809 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.58 -49.34 75.64 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.26 -0.576 . . . . 2.23 111.849 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.34 -44.89 93.56 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.813 -0.355 . . . . 2.23 111.289 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 21.3 t80 -57.45 -52.34 65.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.958 -0.756 . . . . 2.47 108.958 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.78 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.534 -0.466 . . . . 2.27 111.049 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.57 -53.14 61.55 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.692 -0.403 . . . . 2.36 110.046 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -57.55 -42.5 83.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.371 -0.377 . . . . 2.56 110.673 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 96.5 m -65.33 -37.04 85.88 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.203 -0.599 . . . . 1.99 110.776 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.89 -41.34 95.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.19 -0.67 . . . . 2.14 109.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.13 -43.3 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.165 -0.68 . . . . 2.51 109.165 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.32 -42.16 99.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.04 -42.8 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.335 -0.617 . . . . 2.25 109.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.84 -43.81 98.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 2.32 108.791 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.01 -42.85 99.6 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.682 0.277 . . . . 2.18 110.28 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.17 -42.68 95.49 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.051 -0.722 . . . . 2.35 109.051 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.992 -0.549 . . . . 2.31 109.951 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.41 -42.62 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.338 -0.616 . . . . 2.12 109.338 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.83 -39.3 88.49 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.427 -0.583 . . . . 2.26 109.427 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -65.13 -41.57 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.953 -0.567 . . . . 2.33 109.92 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.01 -43.96 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 121.425 0.631 . . . . 2.35 109.32 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.01 -44.2 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.393 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 mtt -64.35 -39.41 93.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.23 -38.11 89.87 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.932 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -63.37 -37.73 88.39 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.35 -35.26 78.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.412 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.38 -42.87 98.86 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.54 -38.94 91.99 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.006 -1.452 . . . . 0.0 108.553 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.65 -49.98 68.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.24 -42.87 96.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.877 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 21.8 t80 -59.53 -49.58 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.594 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -64.22 -43.87 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -61.07 -47.92 84.12 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.4 -42.45 99.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.204 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 97.5 m -64.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.653 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.83 -42.2 93.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.59 -43.15 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.2 -42.53 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.724 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.01 -43.24 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 97.0 m -62.14 -42.67 99.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.491 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.7 -41.4 99.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.085 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.72 -42.65 99.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.83 -39.68 94.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.836 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.23 -42.57 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.5 m -60.63 -39.59 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -64.84 -42.46 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.35 -42.8 97.64 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 121.347 0.594 . . . . 0.0 109.661 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.39 -44.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.106 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.03 -39.67 94.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.738 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.87 -38.6 91.7 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.715 179.797 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -62.97 -37.68 88.08 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 109.946 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.55 -35.53 79.74 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.321 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.02 -42.92 99.91 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.57 -38.79 91.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.965 -1.471 . . . . 0.0 108.611 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.73 -49.94 68.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -43.07 96.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 21.7 t80 -59.61 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.644 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.97 -43.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.98 -48.23 82.77 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.836 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.31 -42.41 99.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.088 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 96.9 m -64.6 -38.11 89.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.0 -41.67 92.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.86 -43.11 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.27 -42.42 99.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.407 HG22 HD12 ' C' ' 40' ' ' ILE . 32.7 mm -63.08 -43.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.1 -42.49 99.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.555 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.05 -41.4 99.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.19 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.68 -42.89 99.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.7 -39.76 95.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.811 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.23 -42.72 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.5 m -60.51 -39.55 88.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.91 -42.54 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.877 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.35 -42.72 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-O 121.411 0.624 . . . . 0.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.29 -44.66 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.044 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 52.4 mtt -63.81 -39.71 94.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -38.04 89.61 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.655 179.741 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -63.08 -37.73 88.38 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.059 0.457 . . . . 0.0 110.057 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.48 -35.65 80.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.158 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.88 -43.04 99.86 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.43 -38.95 91.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.009 -1.45 . . . . 0.0 108.599 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.55 -50.01 69.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -42.94 96.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.782 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 21.5 t80 -59.65 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.665 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.97 -43.79 97.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.06 -48.1 83.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 95.5 m -64.57 -38.15 90.0 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.9 -41.74 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.94 -43.12 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.32 -42.38 99.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.681 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 32.6 mm -63.04 -43.15 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.47 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.213 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.73 -42.81 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.73 -39.67 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.854 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.25 -42.63 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -60.72 -39.39 88.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.592 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.97 -42.44 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.82 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.47 -42.87 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.19 -44.45 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 52.0 mtt -63.9 -39.7 94.79 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.89 -38.33 90.68 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.643 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -63.48 -37.77 88.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.042 0.449 . . . . 0.0 109.996 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.45 -35.31 78.89 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.401 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.26 -42.87 99.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.6 -38.98 92.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.48 -50.07 68.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.709 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.3 -43.01 96.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.8 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . 0.498 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 21.8 t80 -59.45 -49.48 77.64 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.6 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.217 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.98 -48.12 83.29 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.34 -42.39 99.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.498 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 97.9 m -64.53 -38.34 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.85 -41.97 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -63.75 -43.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.424 HG22 HD12 ' E' ' 40' ' ' ILE . 32.4 mm -63.04 -43.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.17 -42.59 99.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.428 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.78 -41.57 99.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.58 -42.75 99.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.69 -39.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.693 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.01 -42.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.7 m -60.65 -39.61 88.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.87 -42.44 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.32 -42.88 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 109.676 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.29 -44.31 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.22 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 51.8 mtt -63.98 -39.83 95.01 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.73 -38.35 90.78 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.737 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -65.89 -43.14 89.16 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.035 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -62.08 -50.25 72.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.622 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 23.2 mt -61.45 -43.21 99.27 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 109.029 -0.73 . . . . 1.9 109.029 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.56 -37.94 71.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.832 -1.531 . . . . 2.38 108.924 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.12 -41.29 90.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 2.49 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.64 -48.14 70.36 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 119.689 -0.804 . . . . 2.44 111.306 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.92 -55.6 32.87 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.163 -0.615 . . . . 2.62 109.903 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.15 -44.72 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.883 -0.599 . . . . 2.34 112.331 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.75 -49.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 119.241 -0.984 . . . . 2.24 110.01 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.185 -0.606 . . . . 2.59 110.608 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -66.41 -37.61 85.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.223 -0.591 . . . . 2.33 110.746 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.45 -40.09 96.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.149 -0.478 . . . . 2.02 109.871 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.22 -43.74 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 108.477 -0.935 . . . . 2.29 108.477 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.2 -41.31 96.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 2.35 110.122 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.64 -43.56 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 109.437 -0.579 . . . . 2.31 109.437 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.71 -45.21 94.94 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.73 -0.841 . . . . 2.37 108.73 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.69 -42.23 98.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.761 -0.459 . . . . 2.22 109.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.39 -42.34 95.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.384 -0.599 . . . . 2.28 109.384 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.82 -41.17 97.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.35 0.595 . . . . 2.49 109.654 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 2.42 109.588 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.3 -36.91 81.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.394 -0.821 . . . . 2.37 109.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.26 -40.5 88.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.628 -0.714 . . . . 2.37 110.588 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.2 -42.21 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 108.872 -0.788 . . . . 2.44 108.872 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.83 -45.97 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.539 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -62.68 -40.75 98.06 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.911 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.96 -42.25 94.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.068 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 . . . . . 0 C--O 1.223 -0.317 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.46 -43.63 89.73 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.702 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.86 -45.5 92.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.49 -42.89 91.69 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -56.81 -37.96 71.91 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.556 -1.656 . . . . 0.0 108.781 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -65.89 -43.02 89.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.626 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.45 -44.82 86.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.078 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.62 -50.96 69.15 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.63 -44.31 96.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.7 -47.33 81.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.411 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -60.86 -42.77 98.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.119 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 99.1 m -66.46 -38.43 87.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.677 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.46 -40.23 95.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.182 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.15 -42.91 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.878 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.61 -43.6 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.65 -43.49 98.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.85 -40.84 98.7 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.742 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.3 -42.09 99.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.311 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.01 -41.7 97.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.547 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.82 -43.62 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.632 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.15 -37.18 81.92 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.721 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.52 -42.78 96.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.195 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.05 -42.26 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -44.5 98.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.026 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.7 mmm -63.91 -41.25 97.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.586 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.68 -42.4 95.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.22 -43.7 90.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.666 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.97 -45.32 92.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.48 -43.05 91.46 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -56.62 -37.81 71.22 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.808 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.06 -42.65 89.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.775 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.79 -44.94 84.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.051 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.65 -50.84 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.616 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.81 -44.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.851 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.57 -46.95 83.51 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -61.14 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.023 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -66.28 -38.52 88.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.805 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.57 -40.12 95.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.033 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 mt -63.33 -42.76 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.75 -43.27 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.65 -43.58 98.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.301 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.92 -40.84 98.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.28 -41.99 98.96 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.83 -41.76 97.76 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.672 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.95 -43.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.591 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.54 -36.99 82.16 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.646 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.7 -42.51 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.84 -42.4 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.76 -44.61 98.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.125 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.77 -41.25 98.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.519 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.78 -42.48 95.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.66 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.13 -43.96 90.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.77 -42.93 90.26 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -56.53 -37.89 71.1 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.86 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.94 -42.9 89.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.75 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.71 -44.8 84.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.998 -0.681 . . . . 0.0 112.047 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.79 -50.93 69.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.593 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.82 -46.93 82.87 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.432 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -61.03 -43.17 99.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 99.2 m -66.22 -38.85 88.92 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.712 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.4 -40.08 95.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.939 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -63.33 -42.85 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.75 -41.53 97.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.76 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.52 -43.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.147 0.499 . . . . 0.0 109.698 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 95.2 m -62.46 -43.67 98.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.334 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.84 -40.99 99.14 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.09 -42.21 98.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.7 -41.75 98.06 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.726 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.86 -43.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.692 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.18 -37.3 82.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.741 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.36 -42.82 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.62 -42.62 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.617 0.722 . . . . 0.0 109.126 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.77 -44.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.098 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -63.85 -41.26 97.83 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.505 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.77 -42.38 95.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.574 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -65.06 -43.69 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.888 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.12 -45.21 93.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.51 -42.97 91.51 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -56.67 -37.91 71.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.931 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.94 -42.9 89.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.622 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -44.73 85.39 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.084 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.71 -50.95 69.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.535 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.93 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.75 -46.98 82.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.465 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -61.0 -43.06 99.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.963 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.19 -38.73 88.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.5 -39.92 95.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.58 -42.75 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.94 -41.19 97.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.914 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.85 -43.47 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 97.3 m -62.61 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.9 -40.9 98.97 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.98 -41.63 97.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.535 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.96 -43.57 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.21 -37.34 82.64 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.824 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.27 -42.79 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.105 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.96 -42.57 96.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.63 -44.59 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.98 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.87 -41.08 97.84 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.512 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.88 -42.07 95.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.471 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 121.051 0.453 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.7 -40.37 96.63 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.742 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.32 -43.8 96.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.65 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.24 -42.93 99.46 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.858 -0.793 . . . . 2.17 108.858 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.63 -38.98 92.34 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 113.875 -1.511 . . . . 2.61 108.168 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.63 -47.86 81.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.909 -0.587 . . . . 2.2 110.578 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.13 -45.18 89.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.489 -0.485 . . . . 2.27 111.167 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 8.8 t80 -57.75 -52.78 64.06 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.819 -0.753 . . . . 2.55 109.241 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.7 -0.4 . . . . 2.28 111.492 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -58.29 -52.43 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.378 -0.529 . . . . 2.38 110.259 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -59.33 -42.89 92.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.958 -0.564 . . . . 2.55 110.293 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 20.8 m -64.44 -38.98 92.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.275 -0.57 . . . . 2.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.83 -41.94 98.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.582 -0.525 . . . . 2.21 109.582 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -64.26 -44.32 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 115.727 -0.67 . . . . 2.54 109.342 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.01 -41.2 99.5 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.335 -0.393 . . . . 2.23 110.509 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.65 -43.12 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.871 -0.789 . . . . 2.21 108.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -62.52 -41.43 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.133 -0.94 . . . . 2.35 109.113 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.44 -42.75 99.68 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.782 -0.367 . . . . 2.17 110.106 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.79 -41.74 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.726 -0.472 . . . . 2.3 109.726 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.69 -40.83 98.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.017 -0.735 . . . . 2.45 109.017 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.94 -42.86 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 2.21 109.283 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.66 -34.95 78.14 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.645 -0.707 . . . . 2.27 109.799 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -66.68 -40.21 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-O 121.33 0.586 . . . . 2.4 110.663 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.95 -42.42 88.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.124 -0.944 . . . . 2.18 110.118 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.84 -48.18 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.263 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -62.81 -46.94 85.61 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.06 -39.39 79.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.691 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.218 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.761 -179.665 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.71 -40.04 95.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.86 -39.25 91.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.05 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.88 -43.27 93.46 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.02 -35.27 79.66 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.966 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -65.08 -48.52 73.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.692 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.56 -43.43 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.628 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 9.3 t80 -60.1 -49.53 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.939 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -43.32 94.84 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.619 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -60.85 -49.52 77.15 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.45 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.41 99.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . 0.408 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 20.8 m -64.16 -39.68 94.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.19 -42.0 97.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -64.27 -43.65 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.48 -40.79 98.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.96 -43.52 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.71 -41.32 99.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.555 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 mt -62.06 -41.72 98.44 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.3 -41.65 98.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.0 -41.34 99.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.38 -35.86 78.66 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.858 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.42 -43.34 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.109 0.481 . . . . 0.0 109.921 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.4 mt -64.28 -43.21 97.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.147 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.22 -46.66 80.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.856 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.42 -47.72 80.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.713 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.07 -39.21 79.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.959 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.714 -179.699 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.63 -40.05 95.91 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.76 -39.49 91.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.942 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.71 -43.15 94.36 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.17 -35.45 80.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.693 -1.594 . . . . 0.0 109.051 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.88 -48.65 73.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.51 -43.33 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.688 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . 0.404 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 9.0 t80 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.923 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.38 -43.56 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.53 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -60.84 -49.5 77.21 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.429 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -62.52 -42.42 99.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . 0.404 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 20.0 m -64.2 -39.64 94.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.97 -41.95 97.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.25 -41.04 99.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.93 -43.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.78 -41.23 99.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.457 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.1 -41.97 98.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.161 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.19 -41.61 99.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.01 -41.32 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -64.46 -43.66 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.47 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -65.86 -43.21 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-O 121.085 0.469 . . . . 0.0 109.956 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.33 -43.15 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.066 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.17 -46.51 81.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.893 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.54 -47.47 81.47 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.724 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.18 -39.39 78.74 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.961 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.219 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.61 -179.724 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.49 -40.0 95.94 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.87 -39.54 92.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.82 -42.97 94.54 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.41 -35.17 79.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.028 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.16 -48.66 72.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.529 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.43 -43.47 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 9.0 t80 -60.23 -49.29 78.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.895 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.44 -43.62 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -60.69 -49.39 77.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.47 -42.47 99.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.148 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 20.5 m -64.18 -39.57 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.16 -41.98 97.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.51 -43.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.88 -43.54 98.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.541 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.25 -41.59 99.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.1 -41.33 99.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.53 -43.5 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -61.44 -35.33 77.26 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.01 -43.24 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -64.14 -43.23 97.37 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.098 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.34 -46.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.912 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.6 mmm -63.75 -47.24 81.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.682 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.25 -39.48 78.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.88 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.741 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.53 -40.08 96.09 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.88 -39.36 91.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.84 -43.32 93.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.02 -35.2 79.44 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -65.03 -48.57 73.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -43.25 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . 0.413 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 9.2 t80 -60.41 -49.39 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.866 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.36 -43.51 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.533 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -60.79 -49.4 77.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.58 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 20.0 m -63.93 -39.76 94.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.18 -42.16 98.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.07 -43.73 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.91 98.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.06 -43.59 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.2 m -62.62 -41.43 99.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.554 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.244 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.38 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -64.39 -43.68 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -61.39 -35.61 77.97 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.5 -43.52 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.02 0.438 . . . . 0.0 110.023 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.07 -43.09 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.221 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.38 -46.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.967 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.86 -47.24 81.52 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.35 -39.22 78.26 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.936 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.219 -0.518 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.717 -179.715 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -34.4 77.56 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.94 -48.4 66.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.121 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 mt -64.62 -42.58 95.41 Favored 'General case' 0 CA--C 1.484 -1.594 0 N-CA-C 108.815 -0.809 . . . . 1.95 108.815 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -56.87 -40.23 75.78 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.586 -1.643 . . . . 1.99 107.795 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -65.59 -37.54 86.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.483 -1.235 . . . . 2.82 111.109 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.72 -48.3 60.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.306 -0.558 . . . . 2.49 110.775 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.56 -42.21 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.533 -0.467 . . . . 2.38 111.602 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.51 -43.62 83.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 2.37 109.919 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.85 -46.21 90.43 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.019 -0.537 . . . . 2.19 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.8 -45.28 94.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.018 0.437 . . . . 2.39 111.066 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.73 -38.73 92.19 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.803 -0.759 . . . . 2.62 109.827 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -65.4 -36.29 83.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.75 -0.659 . . . . 2.05 109.582 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.04 -42.43 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.918 -1.142 . . . . 1.92 107.918 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.02 -41.59 83.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.762 -0.829 . . . . 2.45 108.762 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.425 ' CD1' ' SG ' ' E' ' 41' ' ' CYS . 29.4 mm -62.13 -42.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.874 -0.787 . . . . 2.35 108.874 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' B' ' 40' ' ' ILE . 60.4 m -59.58 -50.2 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.79 -0.641 . . . . 2.22 109.666 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.4 -44.15 97.64 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.022 0.439 . . . . 2.45 111.436 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -61.36 -42.4 98.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.876 -0.602 . . . . 2.37 110.071 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.57 -38.08 88.68 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.557 -0.457 . . . . 2.18 110.0 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -60.09 -41.3 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.612 -0.885 . . . . 2.33 108.612 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.7 m -59.4 -38.32 80.26 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.551 -0.537 . . . . 2.28 109.551 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 47' ' ' ILE . 46.5 mm -64.69 -41.85 93.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.852 -0.425 . . . . 2.29 109.852 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.18 -43.68 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 108.447 -0.946 . . . . 2.8 108.447 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.83 -43.19 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.335 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.72 -38.24 90.32 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.49 -42.04 96.09 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.411 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 120.954 0.407 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -36.98 83.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -66.49 -46.26 76.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.287 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.58 -43.19 90.5 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -57.44 -38.36 74.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.474 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -66.11 -42.06 89.75 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.91 -44.18 85.96 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.47 -46.07 90.16 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.42 -44.02 94.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.629 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.99 -46.56 88.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -60.57 -45.62 93.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.511 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.53 -40.86 98.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.645 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.6 -36.41 83.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.899 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -39.99 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.35 -41.1 92.93 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.428 ' CD1' ' SG ' ' A' ' 41' ' ' CYS . 29.5 mm -61.94 -42.93 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' C' ' 40' ' ' ILE . 60.1 m -59.79 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.018 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.74 -43.33 99.06 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.412 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.45 -42.52 99.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.56 -37.5 86.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 mt -60.76 -41.29 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.62 -38.15 80.53 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.428 HD13 HG21 ' B' ' 47' ' ' ILE . 46.8 mm -64.37 -42.59 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -43.06 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.39 -42.88 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 86.8 mmm -64.84 -38.46 91.05 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.812 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.41 -41.91 96.36 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.421 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -37.45 85.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.502 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.99 -46.34 78.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.345 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.62 -43.1 90.58 Favored 'General case' 0 CA--C 1.488 -1.406 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.54 -38.74 75.21 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.271 -1.786 . . . . 0.0 108.579 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.75 -41.91 91.55 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.114 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.1 85.37 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -62.3 -46.37 89.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.009 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.46 -44.13 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.64 -46.41 89.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.86 -46.03 92.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.31 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.02 -40.9 99.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.706 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.51 -36.3 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.61 -40.55 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.74 -41.22 90.46 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.429 ' CD1' ' SG ' ' B' ' 41' ' ' CYS . 29.8 mm -61.89 -43.01 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' D' ' 40' ' ' ILE . 59.5 m -59.79 -49.44 77.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.054 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.8 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.384 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -62.64 -42.38 99.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.075 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.9 -37.19 85.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.144 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.93 -41.52 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.49 -38.19 80.25 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . 0.447 HD13 HG21 ' C' ' 47' ' ' ILE . 46.9 mm -64.25 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.35 -42.91 97.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -65.02 -38.58 91.38 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.37 -42.12 96.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.493 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.52 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -37.31 85.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -66.24 -46.24 77.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.65 -43.03 90.66 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.72 -38.38 75.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.321 -1.763 . . . . 0.0 108.379 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -66.04 -42.02 90.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.186 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.11 85.35 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -62.38 -46.31 89.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.92 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.41 -43.85 94.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.09 -46.36 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -60.65 -45.86 92.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.384 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -63.55 -40.68 97.63 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.66 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.58 -36.15 82.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.034 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.66 -40.46 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.92 -41.21 91.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.441 ' CD1' ' SG ' ' C' ' 41' ' ' CYS . 29.2 mm -61.8 -43.04 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' E' ' 40' ' ' ILE . 59.7 m -60.01 -49.35 78.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.01 -42.95 99.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.7 -42.33 99.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.076 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.81 -37.2 85.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.162 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.89 -41.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.51 -38.4 80.86 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . 0.409 HG21 HD13 ' D' ' 47' ' ' ILE . 46.6 mm -64.03 -42.65 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.8 -42.79 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.64 -42.92 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.92 -38.44 90.96 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.22 -42.17 96.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.492 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -37.32 85.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.5 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -66.23 -46.05 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.376 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -42.75 89.83 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -57.63 -38.65 75.35 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.406 -1.724 . . . . 0.0 108.441 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.7 -44.24 86.76 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.18 -46.49 88.72 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.949 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.3 -44.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.566 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.74 -45.67 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.309 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.57 -40.86 98.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.668 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.62 -36.49 84.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.22 -40.13 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.37 -41.1 93.02 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.437 ' CD1' ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.79 -42.95 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 40' ' ' ILE . 60.0 m -60.06 -49.24 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.049 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.8 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.159 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.976 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.58 -37.44 86.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.89 -41.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.64 -38.11 80.51 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.38 -42.69 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.66 -43.11 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.37 -42.89 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.277 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -64.87 -38.5 91.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.26 -41.93 96.71 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.357 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.221 -0.399 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -66.17 -44.24 84.6 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.992 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.68 -47.73 82.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 11.4 mt -63.79 -42.06 97.81 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 108.425 -0.954 . . . . 2.21 108.425 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.49 -41.43 80.7 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.651 -1.613 . . . . 2.05 107.854 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -43.06 99.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.304 -0.862 . . . . 2.47 110.041 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.11 -45.61 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.338 -0.545 . . . . 2.46 111.866 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -59.37 -52.98 63.3 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.099 -0.64 . . . . 2.51 109.825 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.95 -45.33 98.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.877 -0.601 . . . . 2.41 112.147 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.65 -48.07 80.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.056 -0.658 . . . . 2.27 109.97 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -60.72 -43.31 98.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.719 0.295 . . . . 2.33 110.759 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.224 0.535 . . . . 2.43 110.427 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.02 -40.69 96.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.312 -0.858 . . . . 2.3 109.798 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.49 -45.54 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.777 -0.823 . . . . 2.06 108.777 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 mt -58.08 -41.84 84.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 2.23 109.846 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.8 mt -63.61 -43.54 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.423 -0.511 . . . . 2.44 109.683 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.4 m -60.32 -47.56 85.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.546 -0.909 . . . . 2.39 108.546 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -59.97 -43.35 95.14 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.782 0.325 . . . . 2.18 110.277 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.0 -42.13 89.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.739 -0.664 . . . . 2.29 109.266 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.34 -42.28 93.04 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.272 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.69 -47.67 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.27 -0.641 . . . . 2.47 109.27 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -58.17 -43.72 87.59 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.756 -0.656 . . . . 2.55 109.928 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.71 -38.23 82.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.979 -0.555 . . . . 2.2 110.629 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.6 mt -62.88 -45.17 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 108.869 -0.789 . . . . 2.31 108.869 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.33 -45.55 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.721 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.37 -42.23 96.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.079 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.33 -28.05 61.85 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.53 -1.224 . . . . 0.0 109.183 179.644 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -66.47 -44.48 82.59 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.313 0.383 . . . . 0.0 110.896 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.3 -45.01 93.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.03 0.443 . . . . 0.0 111.563 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.18 -41.65 89.96 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -58.66 -38.49 78.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.539 -1.664 . . . . 0.0 108.425 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.82 -44.54 89.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.94 -44.75 88.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -60.99 -49.46 77.34 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.464 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.05 -44.94 95.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.945 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.48 -46.29 86.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.611 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.23 -43.08 99.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.26 -42.87 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.19 0.519 . . . . 0.0 110.286 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.65 -40.04 95.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.163 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.45 -43.32 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.41 -41.89 94.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.632 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.0 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.055 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.46 98.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.34 -41.37 98.86 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.074 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.64 -42.31 95.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.044 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.69 -43.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.147 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.84 -43.71 98.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.476 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.42 -40.6 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.306 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 18.4 mt -61.51 -43.76 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.447 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.53 -45.39 85.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.566 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.44 -42.28 96.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.191 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -28.53 62.51 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.723 -1.132 . . . . 0.0 109.51 179.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.222 -0.349 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.022 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.34 -45.56 90.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.021 0.439 . . . . 0.0 111.545 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.65 -41.84 92.11 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.46 -38.39 77.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.352 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.04 -44.47 88.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.539 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -44.59 88.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.2 -49.35 77.53 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.599 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.28 -44.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.86 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.43 -46.54 85.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.567 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -61.87 -43.53 98.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.15 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.08 -42.7 96.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.128 0.49 . . . . 0.0 110.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.61 -40.31 96.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.16 -43.33 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.454 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.33 -41.95 94.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.728 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.99 -43.32 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.03 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.78 98.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.589 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.0 -41.58 99.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.46 -42.62 99.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.54 -42.38 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.39 -44.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.931 0.396 . . . . 0.0 110.141 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.74 -43.53 98.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.8 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.271 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mt -61.51 -43.84 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.265 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.6 t -67.52 -45.2 85.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.564 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 73.0 mtm -64.58 -42.01 95.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.191 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.26 -28.93 62.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.112 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.475 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.221 -0.406 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -66.26 -44.29 84.03 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.36 -45.39 91.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.439 . . . . 0.0 111.528 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.7 -41.78 91.95 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.44 -38.66 77.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.385 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.75 -44.43 90.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.618 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.26 -44.54 87.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.19 -49.29 77.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.514 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.15 -45.05 95.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.935 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.41 -46.55 85.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -61.73 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.23 -42.82 96.39 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.295 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.44 -40.35 96.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.99 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.502 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.32 -41.78 94.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.565 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.33 -43.15 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.077 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.19 -43.57 98.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.488 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.08 -41.7 99.48 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.51 -42.47 98.85 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.54 -42.37 95.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.034 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.9 mm -63.53 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.82 -43.37 98.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.513 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.99 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.18 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mt -61.6 -43.81 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.37 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.49 -45.4 85.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.566 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 73.3 mtm -64.27 -42.25 96.53 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.24 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -28.76 62.35 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.211 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.273 179.627 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.222 -0.354 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -66.4 -44.3 83.39 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 123.277 0.361 . . . . 0.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -63.31 -45.64 90.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 111.449 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.49 -41.81 92.85 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.5 -38.59 78.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.394 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.73 -44.36 90.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.722 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.29 -44.62 87.41 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.206 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -61.02 -49.24 78.22 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.443 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.32 -44.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.987 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.45 -46.51 85.91 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.48 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -62.07 -43.27 99.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.079 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.12 -42.71 96.75 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.286 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.66 -40.18 96.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.16 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.16 -43.72 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 61.8 mt -60.35 -41.78 94.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.573 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.11 -43.57 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 83.7 m -62.0 -43.45 98.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.34 -41.32 98.87 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.056 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -61.74 -42.53 99.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -64.43 -42.58 95.95 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.033 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.43 -44.03 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.87 -43.54 98.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.509 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.78 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.233 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 18.5 mt -61.67 -43.5 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.433 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.73 -45.21 85.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.567 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.45 -42.29 96.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.128 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -28.6 62.46 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.232 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.482 179.66 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HE ' ' NE2' ' E' ' 26' ' ' GLN . 60.8 mtp85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.699 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.495 ' NE2' ' HE ' ' B' ' 25' ' ' ARG . 8.4 pt20 -65.89 -25.34 67.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.331 0.586 . . . . 0.0 110.653 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -72.85 -37.7 67.33 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.192 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.27 -49.24 70.33 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.191 0.52 . . . . 2.3 110.845 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.85 -37.59 87.42 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.144 -1.058 . . . . 1.89 108.144 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.03 -47.96 83.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.686 -0.806 . . . . 2.54 110.096 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.19 -42.93 83.35 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.032 -0.667 . . . . 2.52 111.287 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.82 -44.49 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 118.375 0.534 . . . . 2.39 112.069 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.59 -44.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.576 -0.45 . . . . 2.51 109.928 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.42 -44.3 97.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.15 109.44 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.567 -0.288 . . . . 2.1 111.425 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.78 -35.31 80.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 119.85 -0.74 . . . . 2.65 109.816 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.99 -39.01 89.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.91 -0.586 . . . . 2.28 109.801 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 mm -61.86 -44.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.452 -0.944 . . . . 1.9 108.452 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.26 -42.16 76.95 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.379 -0.6 . . . . 2.31 109.379 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.516 HG13 ' SG ' ' E' ' 41' ' ' CYS . 28.7 mt -63.16 -43.04 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 108.92 -0.77 . . . . 2.39 108.92 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' HG13 ' B' ' 40' ' ' ILE . 61.6 m -58.87 -50.82 72.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.131 -0.692 . . . . 2.35 109.131 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.39 -43.21 96.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.968 0.413 . . . . 2.37 110.569 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.94 -41.63 92.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.658 -0.701 . . . . 2.2 109.43 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.43 -39.52 94.71 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.271 -0.64 . . . . 2.21 109.271 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.346 -0.983 . . . . 2.47 108.346 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.6 m -62.09 -37.32 84.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.468 -0.787 . . . . 2.39 109.982 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.3 -41.21 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.972 0.415 . . . . 2.19 109.966 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.98 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.856 -0.794 . . . . 2.38 108.856 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.55 -44.34 98.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.545 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.3 mmm -65.1 -42.15 94.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.649 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.6 -25.35 59.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.004 0.43 . . . . 0.0 110.069 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.817 -1.087 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.495 ' HE ' ' NE2' ' A' ' 26' ' ' GLN . 61.8 mtp85 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.557 0.218 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' HE ' ' C' ' 25' ' ' ARG . 8.5 pt20 -66.05 -28.49 68.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.226 0.536 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.47 -37.55 74.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.559 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.49 -49.94 69.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.213 0.53 . . . . 0.0 110.43 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.99 -33.94 76.86 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.32 -49.4 75.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.45 -40.69 89.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.43 81.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -44.6 92.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.226 0.536 . . . . 0.0 109.777 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.18 -46.43 85.78 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.45 -37.23 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.815 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.02 -39.38 93.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.771 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 mm -62.14 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.95 -41.72 88.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.504 HG13 ' SG ' ' A' ' 41' ' ' CYS . 29.2 mt -63.15 -42.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.182 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' CYS . . . . . 0.511 ' SG ' HG13 ' C' ' 40' ' ' ILE . 61.5 m -60.14 -48.05 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.702 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.51 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.08 -41.67 98.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.7 mt -63.11 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.92 -42.85 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 95.6 m -62.77 -37.11 85.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.717 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.01 -43.08 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.01 -42.43 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.152 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.1 -43.75 97.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.796 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -66.1 -41.68 90.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -24.58 58.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.137 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.603 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.414 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' ARG . . . . . 0.502 ' HE ' ' NE2' ' B' ' 26' ' ' GLN . 61.2 mtp85 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.5 0.19 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' GLN . . . . . 0.483 ' NE2' ' HE ' ' D' ' 25' ' ' ARG . 8.1 pt20 -66.01 -27.6 68.24 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -71.06 -37.91 72.49 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.517 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.08 -49.82 70.78 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.07 -33.94 76.9 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -62.33 -49.34 76.01 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.537 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.43 -40.65 89.62 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.902 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.66 -48.49 80.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.119 0.485 . . . . 0.0 110.7 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.92 -44.51 92.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.12 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.224 0.535 . . . . 0.0 109.805 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.51 -46.1 87.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.53 -37.33 87.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.832 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.85 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.01 -41.52 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.09 -41.78 88.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' ILE . . . . . 0.511 HG13 ' SG ' ' B' ' 41' ' ' CYS . 28.4 mt -63.05 -42.51 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' D' ' 40' ' ' ILE . 62.3 m -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.764 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.99 -41.61 99.62 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -41.45 98.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.428 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.18 -39.31 94.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.46 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.06 -42.66 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.07 -36.91 85.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.768 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.23 -43.18 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.89 -42.66 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.79 -43.6 97.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -66.05 -41.95 90.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.95 58.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.215 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.43 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' ARG . . . . . 0.483 ' HE ' ' NE2' ' C' ' 26' ' ' GLN . 61.0 mtp85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.576 0.227 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' GLN . . . . . 0.481 ' NE2' ' HE ' ' E' ' 25' ' ' ARG . 8.3 pt20 -65.82 -27.92 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.441 0.639 . . . . 0.0 110.72 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.88 -37.97 73.07 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.99 -50.23 69.38 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.346 0.593 . . . . 0.0 110.581 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -61.79 -49.23 77.18 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.724 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.56 -40.62 89.11 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.964 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.47 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.146 0.498 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.02 -44.49 92.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.32 -43.26 99.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.396 0.617 . . . . 0.0 109.725 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -58.39 -46.16 86.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.2 m -64.67 -37.03 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.731 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.37 -39.26 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.14 -41.34 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.03 -41.81 88.71 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' ILE . . . . . 0.517 HG13 ' SG ' ' C' ' 41' ' ' CYS . 28.1 mt -63.11 -42.68 97.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' E' ' 40' ' ' ILE . 61.9 m -60.64 -47.39 86.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.76 -41.92 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.03 -41.55 98.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.429 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.02 -39.35 94.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.45 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.98 -42.68 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.96 -36.96 85.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.26 -43.04 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.92 -42.51 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.232 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.21 -43.91 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.755 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.6 -42.0 92.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.46 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -25.24 59.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.048 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.426 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 25' ' ' ARG . . . . . 0.481 ' HE ' ' NE2' ' D' ' 26' ' ' GLN . 61.9 mtp85 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.498 0.19 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 26' ' ' GLN . . . . . 0.497 ' NE2' ' HE ' ' A' ' 25' ' ' ARG . 8.4 pt20 -65.8 -28.57 69.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 0.0 110.454 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -70.33 -37.67 74.74 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.39 -49.53 71.21 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.313 0.577 . . . . 0.0 110.635 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.49 -33.78 76.67 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.83 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.31 -49.12 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.534 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.71 -40.64 88.53 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.778 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.54 -48.26 81.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.19 -44.33 91.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.31 -43.13 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.329 0.585 . . . . 0.0 109.673 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -58.63 -46.3 87.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.62 -37.07 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.16 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.21 -41.51 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.91 -41.62 87.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 40' ' ' ILE . . . . . 0.523 HG13 ' SG ' ' D' ' 41' ' ' CYS . 29.3 mt -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 41' ' ' CYS . . . . . 0.516 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.1 m -61.0 -47.4 86.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.762 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.83 -41.66 98.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.18 -39.34 94.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -62.72 -42.85 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.81 -37.24 85.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.93 -43.01 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.0 -42.38 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.16 -43.53 97.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 86.7 mmm -66.04 -41.86 90.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.358 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -24.9 58.65 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.415 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.91 6.55 10.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.84 -50.45 73.73 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.04 -32.02 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.131 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -36.75 85.24 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.618 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -63.9 -43.18 96.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.35 -40.67 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -61.01 -42.21 98.03 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -64.66 -38.85 92.39 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.693 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.34 -35.45 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 109.94 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.07 83.78 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.07 -42.36 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.498 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.94 -41.44 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.515 0.509 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.69 -35.75 81.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.005 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.66 -5.15 52.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.4 p -96.33 -33.4 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 111.399 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -66.81 -40.49 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.9 pt -63.37 -16.07 17.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -127.08 24.81 6.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.624 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptp -55.51 152.78 16.45 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.571 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -51.51 -40.09 63.78 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.36 2.04 . . . . 0.0 112.109 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.95 152.12 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.825 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -73.34 5.11 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.708 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.92 -9.52 21.85 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -52.5 -39.63 61.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.64 -32.81 71.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.792 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -66.47 -47.05 74.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.249 0.547 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.04 -44.19 85.35 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.56 -0.904 . . . . 2.25 108.56 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.48 -42.2 74.03 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 113.564 -1.653 . . . . 1.9 107.57 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -63.59 -41.2 98.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.35 -1.296 . . . . 2.57 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.62 -46.27 76.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.466 -0.494 . . . . 2.39 112.177 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -59.1 -40.08 84.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 120.332 -0.547 . . . . 2.41 110.82 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.86 -43.97 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.762 -0.654 . . . . 2.39 109.686 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.04 -44.32 96.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.155 -0.475 . . . . 2.16 110.084 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.99 -43.64 98.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.66 0.267 . . . . 2.22 111.094 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.169 -0.612 . . . . 2.6 109.569 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.42 -38.92 85.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 2.29 109.635 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.36 -45.75 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.076 -1.083 . . . . 1.97 108.076 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.3 mt -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 2.32 109.215 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG13 ' SG ' ' E' ' 41' ' ' CYS . 32.1 mt -63.7 -42.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.973 -0.751 . . . . 2.34 108.973 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.465 ' SG ' HG13 ' B' ' 40' ' ' ILE . 74.2 m -58.32 -47.58 83.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.84 -0.8 . . . . 2.32 108.84 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.21 -43.31 99.08 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.027 -0.36 . . . . 2.31 110.027 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.1 -42.03 89.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.059 -0.518 . . . . 2.23 109.726 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.63 -39.31 93.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.222 -0.659 . . . . 2.27 109.222 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.96 -44.53 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 108.374 -0.972 . . . . 2.48 108.374 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -63.16 -35.03 78.94 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.12 -0.945 . . . . 2.41 110.459 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.86 -40.17 83.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.031 0.443 . . . . 2.2 110.763 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.72 -42.07 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 115.381 -0.827 . . . . 2.4 109.558 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.28 -47.93 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.647 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.41 -46.4 88.77 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.518 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.37 -37.95 74.67 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.879 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.543 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -79.91 6.79 10.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.804 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.71 -47.12 87.7 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.739 0.781 . . . . 0.0 109.31 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -36.78 85.26 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.791 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -63.79 -43.07 97.44 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.47 -40.55 97.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -61.21 -41.72 97.33 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.09 -39.03 92.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.468 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.3 -35.64 76.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.91 85.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.687 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mt -64.26 -42.55 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.404 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.46 -42.17 86.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.36 -35.7 81.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.171 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 -5.45 52.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 55.0 p -96.08 -33.38 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.32 . . . . 0.0 111.301 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -66.72 -40.31 88.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.254 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 47.4 pt -63.54 -15.94 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -127.07 24.92 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.731 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptp -55.53 152.76 16.67 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -51.44 -40.3 62.83 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.415 2.076 . . . . 0.0 112.075 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.87 152.22 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -73.27 4.74 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.701 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -7.55 14.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -54.31 -39.44 67.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.29 -33.14 71.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -66.49 -46.0 77.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.438 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -66.99 -44.11 81.25 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.38 -39.35 72.81 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.135 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.41 -43.64 89.96 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.48 -44.26 91.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.46 -43.61 96.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.64 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.78 -44.03 96.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.244 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.46 -43.84 97.86 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.85 -43.82 98.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 79.8 m -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.441 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.5 -38.63 90.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.8 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.24 -42.18 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.32 91.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.465 HG13 ' SG ' ' A' ' 41' ' ' CYS . 31.4 mt -63.79 -42.53 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' C' ' 40' ' ' ILE . 73.0 m -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.71 -41.59 99.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.909 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.49 -42.13 98.32 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.536 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 mt -64.33 -39.02 93.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.14 -44.06 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -63.66 -35.02 79.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.178 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.09 -43.17 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.77 -42.71 96.83 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.739 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.39 -45.82 81.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.46 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 40.5 mmm -63.6 -47.04 83.07 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.29 -38.09 74.93 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.025 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.571 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.476 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.86 6.86 9.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.69 -47.15 87.57 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.685 0.755 . . . . 0.0 109.347 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.87 -32.6 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -37.07 86.25 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.696 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.79 -43.0 97.62 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.41 -40.76 98.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.603 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -60.96 -41.79 97.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.18 -39.12 92.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.434 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.294 0.569 . . . . 0.0 110.088 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.72 -41.04 84.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.703 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -64.13 -42.29 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.485 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.97 -41.85 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.63 -35.62 81.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.041 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.26 -5.22 52.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 55.3 p -96.24 -33.54 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.349 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -66.77 -40.27 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.248 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 46.9 pt -63.48 -16.07 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.05 24.79 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptp -55.49 152.74 16.48 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -51.55 -40.11 64.11 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.414 2.076 . . . . 0.0 112.112 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.87 152.22 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.39 5.16 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.64 16.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.11 -39.26 66.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.66 -33.05 72.25 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -66.63 -46.2 76.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.364 0.602 . . . . 0.0 110.263 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.55 -44.44 82.37 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.22 -39.62 72.79 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 113.696 -1.593 . . . . 0.0 108.074 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.0 -43.73 91.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.52 -44.21 91.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.51 -43.55 96.97 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.573 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.99 -44.1 96.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.166 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.3 -43.98 97.58 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.532 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 77.2 m -63.91 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.588 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -65.74 -38.6 89.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.871 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.44 -42.24 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.24 -40.41 90.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.469 HG13 ' SG ' ' B' ' 41' ' ' CYS . 32.1 mt -63.88 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' D' ' 40' ' ' ILE . 73.5 m -59.57 -45.17 92.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.51 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.82 -41.47 99.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.965 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.71 -42.11 98.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.634 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.21 -39.22 93.52 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.241 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.23 -43.87 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.66 -35.09 79.39 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.377 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.07 -43.06 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.029 0.442 . . . . 0.0 110.237 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.72 -42.88 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.65 0.738 . . . . 0.0 109.707 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.8 t -68.13 -45.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.495 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.9 mmm -63.84 -46.7 83.83 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.039 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.63 -38.01 73.84 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.036 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.493 -179.764 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.63 6.61 10.2 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.57 -47.01 88.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.671 0.748 . . . . 0.0 109.419 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -64.02 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -36.75 85.32 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.669 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.92 -43.05 97.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.43 -40.73 97.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -61.04 -41.89 97.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -65.01 -39.09 92.91 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.4 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.13 -35.66 75.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.513 . . . . 0.0 109.985 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.84 84.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.716 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mt -64.23 -42.43 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.567 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.68 -42.16 87.85 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.56 -35.49 80.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.086 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.41 -5.22 52.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.69 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 p -96.35 -33.24 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.407 . . . . 0.0 111.38 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -67.07 -40.2 86.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.228 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 46.8 pt -63.55 -16.02 17.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.518 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -126.9 24.78 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptp -55.42 152.77 15.93 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.615 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -51.5 -40.01 63.84 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.409 2.073 . . . . 0.0 112.083 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.18 152.27 41.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.818 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -73.35 4.91 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.84 15.56 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -54.15 -39.31 66.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -60.41 -33.2 72.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -66.51 -45.94 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.293 0.568 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.8 -44.31 81.57 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.22 -39.65 72.83 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 113.549 -1.659 . . . . 0.0 108.096 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.09 -43.76 91.03 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.41 -44.38 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.26 -43.6 96.0 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.996 -0.681 . . . . 0.0 109.685 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.95 -44.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.293 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.44 -43.84 97.84 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.204 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.99 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.06 -40.68 96.79 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.541 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 59.3 mt -65.85 -38.94 90.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.817 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.94 -42.31 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.33 -40.35 90.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.472 HG13 ' SG ' ' C' ' 41' ' ' CYS . 33.2 mt -63.7 -42.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.479 ' SG ' HG13 ' E' ' 40' ' ' ILE . 72.9 m -59.64 -45.23 92.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.537 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.07 -41.52 99.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.923 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.31 -42.39 98.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.602 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.93 -39.32 93.89 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.256 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.11 -43.9 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.9 m -63.75 -34.95 79.04 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.27 -43.14 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.63 -42.83 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-O 121.541 0.686 . . . . 0.0 109.661 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.25 -45.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.565 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 40.9 mmm -63.8 -46.89 83.13 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.45 -38.08 74.43 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.002 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.219 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.579 -179.656 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.7 6.55 10.47 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.42 -47.42 86.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.799 0.809 . . . . 0.0 109.47 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.78 -32.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.787 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -36.97 86.08 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.711 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.72 -43.05 97.69 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.4 -40.74 98.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.555 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.82 -39.07 92.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.42 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.22 -35.67 75.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 109.95 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 25.5 mt -64.09 -42.34 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.601 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.85 -42.01 88.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.59 -35.34 80.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.125 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.68 -5.06 52.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.681 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 55.5 p -96.43 -33.31 11.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -66.82 -40.23 87.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.267 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 pt -63.64 -16.18 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -126.92 24.93 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.953 0.783 . . . . 0.0 110.644 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 6.0 ptp -55.52 152.71 16.81 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -51.56 -39.97 64.44 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.273 1.982 . . . . 0.0 112.105 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.96 151.99 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -73.19 4.88 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -7.69 14.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -54.18 -39.52 66.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.3 -33.23 72.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -66.39 -46.11 77.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.578 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.72 -44.26 82.06 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -56.28 -39.38 72.58 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.116 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.549 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.56 -44.17 91.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.51 -43.37 97.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.656 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.22 -43.93 95.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.42 -43.96 97.57 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.185 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -61.82 -43.59 98.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.754 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.2 -40.77 96.78 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.406 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.72 -38.87 90.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.755 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.79 -42.31 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.31 -40.55 90.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.479 HG13 ' SG ' ' D' ' 41' ' ' CYS . 32.7 mt -63.85 -42.31 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.458 ' SG ' HG13 ' A' ' 40' ' ' ILE . 73.0 m -59.61 -45.41 92.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.71 -41.51 99.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.072 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 17.6 mt -61.61 -42.12 98.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -64.22 -39.17 93.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.13 -44.18 99.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.41 -35.11 79.33 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.368 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.28 -43.02 88.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 0.0 110.164 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.63 -42.91 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 CA-C-O 121.699 0.761 . . . . 0.0 109.739 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.23 -46.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.519 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 41.3 mmm -63.68 -46.83 83.74 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.898 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.19 -38.34 75.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.977 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.596 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.56 -179.679 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.18 -30.93 68.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.22 -53.45 52.98 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.379 0.609 . . . . 0.0 110.479 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.87 -27.79 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.601 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -36.39 84.17 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.378 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -64.33 -42.28 96.37 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.59 -41.22 98.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -61.65 -42.43 98.89 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.4 -40.05 96.18 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.29 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -60.48 -35.97 77.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.801 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.48 87.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -63.43 -42.09 95.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.408 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.16 -41.61 88.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.594 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.1 -35.2 77.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.83 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.21 -4.63 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.87 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.1 p -91.56 -32.48 15.51 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.665 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -42.4 87.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.522 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.9 pt -61.98 -17.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.752 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -127.95 24.67 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -56.68 151.4 31.28 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.6 -35.34 46.33 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.729 2.286 . . . . 0.0 112.824 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.58 147.41 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.027 0.441 . . . . 0.0 111.204 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -73.96 -1.62 20.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.92 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.25 -0.9 8.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.41 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -53.75 -37.21 63.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -61.85 -32.38 72.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.252 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -67.8 -45.37 74.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.253 0.549 . . . . 0.0 109.612 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.0 -44.54 84.5 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 108.706 -0.85 . . . . 2.24 108.706 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.28 -41.41 75.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.572 -1.649 . . . . 1.91 107.649 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -63.77 -40.61 97.12 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.188 -1.369 . . . . 2.57 111.245 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.38 -46.8 72.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.353 -0.539 . . . . 2.41 111.665 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -58.92 -41.27 86.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.472 -0.491 . . . . 2.42 110.725 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.12 -43.41 85.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.888 -0.596 . . . . 2.4 109.836 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.91 -44.65 96.35 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.497 -0.481 . . . . 2.16 110.352 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.025 -0.27 . . . . 2.21 110.953 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.7 m -63.6 -38.95 93.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.208 -0.597 . . . . 2.61 109.605 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.2 -38.86 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.537 -0.756 . . . . 2.3 109.435 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.03 -45.97 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.347 -0.983 . . . . 1.98 108.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.4 -41.16 75.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.794 -0.639 . . . . 2.29 109.39 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG13 ' SG ' ' E' ' 41' ' ' CYS . 27.9 mt -62.54 -42.85 97.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.305 -0.628 . . . . 2.31 109.305 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.0 m -57.64 -46.5 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.694 -0.854 . . . . 2.31 108.694 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.98 -44.19 97.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.817 -0.438 . . . . 2.32 109.817 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.56 -42.48 92.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 2.25 109.665 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.2 mt -63.75 -40.31 96.41 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.241 -0.651 . . . . 2.3 109.241 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.76 -43.71 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.383 -0.969 . . . . 2.48 108.383 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.87 -35.31 79.59 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.81 -38.7 82.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.055 0.455 . . . . 2.21 110.718 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.57 -41.78 86.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.895 0.855 . . . . 2.38 109.359 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.42 -47.27 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.574 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.7 mmm -62.55 -47.13 85.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.63 -38.65 80.68 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.652 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.387 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.99 -30.93 67.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.88 -50.79 67.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.401 0.62 . . . . 0.0 111.179 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.14 -27.48 42.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.419 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -36.14 82.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -64.66 -42.32 95.49 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.4 -40.82 97.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.434 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.08 -42.43 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.3 -40.33 97.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.331 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.57 -35.68 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.6 87.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.24 -42.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.254 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -59.05 -42.11 89.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.71 -35.08 77.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.916 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.1 -4.66 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.8 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.2 p -91.76 -32.18 15.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.655 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -42.39 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.321 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 50.9 pt -61.96 -16.76 16.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -128.33 24.32 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -56.49 151.29 30.09 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.769 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -50.44 -35.55 45.54 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.813 2.342 . . . . 0.0 112.939 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -58.44 147.11 32.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.237 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -73.67 -1.89 20.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.062 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.95 1.48 5.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.383 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -55.98 -37.17 68.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.147 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -66.78 -44.4 81.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.436 0.636 . . . . 0.0 110.428 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.75 -45.14 83.69 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.34 -38.7 74.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.396 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.22 -43.78 90.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.58 -44.81 89.49 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.395 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.45 -44.18 96.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.75 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.73 -43.42 93.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.357 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.34 -44.55 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.23 -42.73 99.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -63.64 -41.56 98.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.68 -38.51 89.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.999 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.49 -41.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.27 -40.18 89.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.448 HG13 ' SG ' ' A' ' 41' ' ' CYS . 27.9 mt -63.01 -42.71 97.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.465 ' SG ' HG13 ' C' ' 40' ' ' ILE . 64.3 m -58.91 -43.49 91.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.988 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.21 -42.32 99.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.698 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.48 -40.64 97.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.48 -44.05 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.14 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.95 -42.6 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-O 120.961 0.41 . . . . 0.0 110.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.9 -42.85 97.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 109.498 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.42 -46.27 83.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.297 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.016 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.55 -39.27 81.13 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.114 0.483 . . . . 0.0 109.727 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.595 -179.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.68 -31.11 67.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.71 -50.9 67.34 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.505 0.669 . . . . 0.0 110.915 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.25 -27.51 42.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -36.09 82.73 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -64.73 -42.5 95.16 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.04 -41.34 98.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.473 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.62 -42.5 98.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.2 -40.05 96.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.359 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.82 -35.27 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.922 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.39 84.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.812 0.815 . . . . 0.0 108.81 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.42 -42.08 94.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.16 -41.83 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.553 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.08 -35.14 77.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.841 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.87 -4.36 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.788 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -91.85 -32.63 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.569 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -42.37 88.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.527 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 50.9 pt -62.21 -16.64 16.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.802 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -128.21 24.63 5.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -56.93 151.32 33.95 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -50.35 -35.74 45.37 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.798 2.332 . . . . 0.0 112.821 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -58.3 147.15 31.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.55 -2.44 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.079 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.4 1.69 4.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.369 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -56.54 -36.91 69.78 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.83 -34.46 74.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.994 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -66.71 -44.42 81.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.211 0.529 . . . . 0.0 110.356 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.85 -44.98 83.87 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.22 -38.61 74.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.404 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.26 -44.02 89.44 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.58 -44.58 90.24 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.411 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.19 -44.48 95.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.761 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.71 -43.54 93.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.27 -44.48 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.32 -42.64 99.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.75 -41.41 98.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -65.62 -39.04 91.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.899 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.81 -42.35 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.79 -40.56 88.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.465 HG13 ' SG ' ' B' ' 41' ' ' CYS . 28.5 mt -62.63 -43.01 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.478 ' SG ' HG13 ' D' ' 40' ' ' ILE . 64.2 m -58.69 -43.51 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.01 -42.25 99.77 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.07 -42.38 99.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -63.37 -40.83 98.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.25 -43.71 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.94 -35.5 80.34 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.77 -42.53 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.003 0.43 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.0 -42.61 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.646 0.736 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.74 -46.08 83.25 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.8 mmm -63.36 -47.42 82.2 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.79 -38.71 80.16 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.139 0.495 . . . . 0.0 109.746 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.748 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.552 -179.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.65 -30.9 67.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.81 -50.97 66.84 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.424 0.63 . . . . 0.0 110.922 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.2 -27.45 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.482 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -36.14 82.97 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -64.45 -42.48 95.93 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.35 -41.26 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.403 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.73 -42.28 98.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.48 -40.12 96.25 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.222 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -60.57 -35.62 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.898 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.31 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.771 0.796 . . . . 0.0 108.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.56 -42.11 95.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.246 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -58.94 -42.27 89.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.8 -35.05 77.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.909 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.94 -4.63 56.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 25.4 p -91.87 -32.38 15.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.579 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -42.25 87.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.536 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 50.0 pt -62.2 -16.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.75 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.43 24.35 5.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -56.47 151.15 30.62 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -50.37 -35.73 45.5 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.705 2.27 . . . . 0.0 112.865 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -58.17 147.62 29.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 111.195 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.96 -2.41 23.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.053 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.62 2.18 4.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.467 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -56.84 -36.99 70.63 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.71 -34.47 74.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.084 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.74 -44.4 81.62 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.36 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.91 -44.8 84.14 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.48 -38.44 74.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.633 -1.622 . . . . 0.0 108.431 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.52 -43.93 88.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.389 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.32 -44.66 90.86 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.13 -44.71 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.668 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.35 -43.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -62.55 -44.33 96.6 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.279 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.41 -42.7 99.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.88 -41.31 97.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.75 -38.82 90.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.81 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.96 -42.36 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.81 -40.5 88.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.478 HG13 ' SG ' ' C' ' 41' ' ' CYS . 29.0 mt -62.69 -42.91 97.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.48 ' SG ' HG13 ' E' ' 40' ' ' ILE . 64.7 m -58.87 -43.53 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.9 -42.22 99.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.02 -42.34 99.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.718 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 43.9 mt -63.51 -40.87 98.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.16 -43.82 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.7 m -63.03 -35.33 79.89 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.64 -42.6 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 121.072 0.463 . . . . 0.0 110.234 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.89 -42.82 97.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 109.506 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.69 -46.02 83.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.352 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.48 -47.31 82.32 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.003 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.96 -38.53 79.46 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.439 -179.644 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.607 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.8 -50.81 67.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.334 0.588 . . . . 0.0 111.031 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.21 -27.34 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -36.25 83.11 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -64.47 -42.43 95.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.47 -40.75 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.562 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.12 -42.16 98.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.54 -40.29 96.63 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.176 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -60.4 -35.72 76.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.817 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.31 87.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.705 0.764 . . . . 0.0 108.998 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -63.7 -42.09 94.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.245 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.09 -42.15 89.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.66 -35.01 76.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.25 -4.66 55.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.74 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 25.9 p -91.62 -32.51 15.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.587 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.6 87.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.361 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 51.0 pt -61.74 -17.1 16.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -127.69 24.04 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -56.16 151.07 28.03 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -50.28 -35.6 44.27 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.655 2.237 . . . . 0.0 112.812 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.18 147.51 30.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.001 0.429 . . . . 0.0 111.179 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.99 -2.14 22.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.163 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.89 1.68 5.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -56.14 -37.29 69.28 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.49 -34.58 74.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.113 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -66.64 -44.39 82.07 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.336 0.589 . . . . 0.0 110.362 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.75 -45.28 83.19 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -56.79 -38.99 73.3 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.49 -1.686 . . . . 0.0 108.401 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.01 -44.02 90.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.488 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.46 -44.78 90.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.12 -44.45 94.88 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.753 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.69 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.1 -44.58 96.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.43 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.31 -42.72 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 42.7 mt -65.48 -38.59 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.046 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.27 -41.94 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 mt -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.48 HG13 ' SG ' ' D' ' 41' ' ' CYS . 28.1 mt -62.96 -42.57 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.639 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.478 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.9 m -58.88 -43.61 90.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.04 -42.07 99.67 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.18 -42.3 99.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 44.7 mt -63.38 -40.63 97.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.588 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.64 -43.88 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 86.5 m -62.78 -35.32 79.47 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.016 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.74 -42.62 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.194 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.93 -42.63 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-O 121.504 0.668 . . . . 0.0 109.674 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.03 83.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.471 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.33 -47.43 82.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.894 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.84 -39.21 80.08 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.65 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.678 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mtp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.56 -32.53 68.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -53.01 50.8 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.538 0.685 . . . . 0.0 110.102 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.93 -25.13 36.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.586 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.75 -37.34 86.08 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -65.02 -43.96 90.71 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.504 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.69 -41.46 99.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.24 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -61.05 -43.07 99.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.13 -40.56 97.95 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.804 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -59.36 -36.95 76.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -63.87 -42.56 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.83 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -58.2 -42.24 85.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -64.91 -36.25 83.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.519 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.28 -2.2 58.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 t -91.58 -33.04 15.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.704 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -42.21 82.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.3 pt -60.44 -17.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.115 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.2 21.22 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.456 0.472 . . . . 0.0 110.475 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -49.8 147.15 6.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.792 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -51.43 -30.76 35.94 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.983 2.456 . . . . 0.0 112.825 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.71 148.24 20.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.642 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -73.64 0.94 11.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.48 8.71 5.82 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -52.93 -40.73 63.84 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -64.13 -34.19 77.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.745 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -65.45 -43.07 91.52 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.524 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -66.4 -44.25 83.53 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.667 -0.864 . . . . 2.22 108.667 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -56.08 -41.23 74.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 113.697 -1.592 . . . . 1.91 107.964 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.249 -1.341 . . . . 2.55 111.033 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.26 -45.63 76.09 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.208 -0.597 . . . . 2.44 112.137 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.05 -42.57 94.75 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.361 -0.536 . . . . 2.44 111.162 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.59 -43.18 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.067 -0.515 . . . . 2.43 109.977 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -62.29 -45.17 94.44 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.209 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.36 -42.25 99.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.665 -0.243 . . . . 2.18 110.681 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.99 -39.57 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.262 -0.575 . . . . 2.58 109.746 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.01 -38.26 82.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 2.33 109.805 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.2 -46.75 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.668 -0.864 . . . . 1.97 108.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.74 -40.54 75.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.835 -0.802 . . . . 2.31 108.835 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG13 ' SG ' ' E' ' 41' ' ' CYS . 30.0 mt -62.4 -42.38 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.855 -0.794 . . . . 2.29 108.855 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.407 ' SG ' HG13 ' B' ' 40' ' ' ILE . 62.3 m -58.75 -46.63 86.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.769 -0.826 . . . . 2.31 108.769 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.39 -43.33 99.05 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 110.115 -0.328 . . . . 2.36 110.115 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.1 -42.18 94.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.263 -0.426 . . . . 2.23 109.999 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.8 mt -63.38 -38.96 93.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.249 -0.648 . . . . 2.27 109.249 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.23 -43.23 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.688 -0.856 . . . . 2.44 108.688 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.29 -35.2 79.59 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.234 -0.894 . . . . 2.38 110.036 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -66.8 -40.86 86.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.237 0.541 . . . . 2.22 110.837 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.51 -42.49 87.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.949 -1.023 . . . . 2.4 110.324 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.16 -48.93 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.754 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mmm -62.36 -47.08 85.77 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.388 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.35 -38.8 81.81 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.977 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.444 -0.728 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.55 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mtp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.62 -32.91 68.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.36 -49.96 67.38 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.92 -24.85 36.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -37.4 86.04 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -64.95 -44.06 90.64 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.426 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.68 -41.31 99.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 81.9 m -61.57 -42.02 98.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.02 -40.51 96.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.591 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -59.55 -37.11 77.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.257 0.551 . . . . 0.0 109.761 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.51 91.56 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -64.23 -42.23 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.751 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -58.39 -42.66 87.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.612 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -64.62 -35.78 82.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.279 0.562 . . . . 0.0 109.821 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.25 -2.27 58.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.203 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -91.7 -32.88 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.686 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -42.18 82.82 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.1 pt -60.72 -17.5 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.148 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.16 21.07 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.561 0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -49.92 147.2 6.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -51.17 -30.72 33.46 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.938 2.425 . . . . 0.0 113.008 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.87 148.57 20.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.952 0.406 . . . . 0.0 110.638 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -73.96 0.69 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.044 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 8.33 5.89 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -52.42 -41.04 62.88 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.95 -38.28 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.03 -41.34 99.5 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.638 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.36 -44.29 79.38 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.2 -38.75 74.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.486 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.7 -45.18 87.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.352 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.19 -43.85 90.3 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.73 93.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.003 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.29 -43.52 95.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -62.16 -45.19 94.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.068 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.369 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.1 -42.45 99.23 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.606 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 34.3 mt -65.57 -38.2 88.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.137 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.93 -43.47 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.28 -40.23 85.43 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.407 HG13 ' SG ' ' A' ' 41' ' ' CYS . 29.4 mt -62.54 -42.42 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HG13 ' C' ' 40' ' ' ILE . 62.6 m -59.42 -43.82 93.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.59 -42.02 98.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -61.92 -41.8 98.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.945 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.91 -39.31 93.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.05 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.96 -35.62 80.76 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.0 mt -65.69 -44.12 93.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.02 0.438 . . . . 0.0 110.088 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.24 -43.15 97.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.25 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.87 -46.62 78.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.496 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 82.4 mmm -64.09 -47.55 79.61 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.973 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.32 -39.4 81.98 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.039 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.646 -179.828 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.73 -32.6 67.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.7 -49.96 66.62 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.592 0.71 . . . . 0.0 110.476 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.89 -24.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.457 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -37.23 85.47 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -65.17 -43.78 90.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.79 -41.14 99.14 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 76.4 m -61.68 -42.18 98.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -63.76 -40.84 97.68 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.506 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.161 0.505 . . . . 0.0 109.764 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.47 -42.15 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.771 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -58.33 -42.61 87.2 Favored 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.359 0.412 . . . . 0.0 110.592 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -64.88 -36.11 83.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.191 0.52 . . . . 0.0 109.748 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.89 -2.31 58.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.266 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -91.39 -33.31 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.757 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -41.68 84.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.997 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 45.2 pt -61.29 -17.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.056 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.4 21.13 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 13.0 ptt? -49.87 147.26 6.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -51.17 -30.84 33.89 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.033 2.489 . . . . 0.0 112.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -56.95 148.61 20.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.382 . . . . 0.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.92 0.57 13.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.004 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 8.29 5.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -52.23 -41.3 62.64 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.9 -37.87 88.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.23 -41.48 99.11 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.555 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.39 -44.12 79.67 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -38.89 74.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.624 -1.626 . . . . 0.0 108.471 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.74 -44.96 88.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.445 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.22 -43.48 91.35 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -61.24 -45.56 94.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.91 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.44 -43.51 94.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.34 -45.31 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -42.17 99.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.552 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.7 -38.16 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.04 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.04 -43.21 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.48 -40.22 86.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.425 HG13 ' SG ' ' B' ' 41' ' ' CYS . 29.5 mt -62.46 -42.63 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.434 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.0 m -59.24 -43.96 92.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.45 -42.19 98.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.98 -41.76 98.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.64 -39.32 94.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.0 -43.38 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -62.94 -35.76 81.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.59 -44.12 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.262 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.24 -43.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.82 -46.7 78.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.405 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 81.5 mmm -63.83 -47.37 81.07 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.121 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.53 -39.02 81.34 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.014 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.434 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.56 -32.7 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.66 -49.96 66.7 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.464 0.65 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.96 -24.75 36.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -37.25 85.56 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.2 -43.86 90.22 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.421 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.53 -41.59 98.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 83.5 m -61.32 -42.01 97.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.07 -40.58 96.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.63 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -59.52 -36.97 77.12 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.228 0.537 . . . . 0.0 109.836 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.33 91.62 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mt -64.5 -42.16 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.782 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -58.3 -42.54 86.9 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.64 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -64.88 -36.3 83.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.87 -2.31 58.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.248 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -91.53 -33.04 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -41.8 82.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 45.1 pt -61.08 -17.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.39 21.21 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.523 0.514 . . . . 0.0 110.574 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -49.89 147.19 6.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.28 -30.86 35.0 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 123.014 2.476 . . . . 0.0 112.856 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -56.82 148.32 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.479 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.77 0.86 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.96 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.35 8.23 6.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -52.12 -41.24 62.32 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.8 -38.05 89.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.07 -41.56 99.46 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.628 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.34 -44.18 79.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.18 -38.6 73.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.602 -1.635 . . . . 0.0 108.673 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.83 -45.05 87.77 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.25 -43.6 90.82 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.21 -45.6 93.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.831 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.44 -43.44 94.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -62.26 -45.6 92.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.76 -42.83 99.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.484 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.22 -42.22 99.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.609 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.78 -37.93 87.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.35 -43.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.51 -40.08 85.94 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.434 HG13 ' SG ' ' C' ' 41' ' ' CYS . 29.2 mt -62.77 -42.41 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.433 ' SG ' HG13 ' E' ' 40' ' ' ILE . 62.1 m -59.49 -43.56 93.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.735 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.63 -41.95 98.21 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.164 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.16 -41.79 98.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.956 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 40.8 mt -63.78 -39.34 94.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -62.99 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.13 -35.63 80.92 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.025 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.6 -44.21 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.058 0.456 . . . . 0.0 110.189 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 76.4 mt -64.23 -43.22 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.71 -46.58 79.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.609 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -64.07 -47.56 79.65 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.967 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.36 -38.8 81.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.128 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.445 -0.72 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.423 -179.85 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.37 -33.02 69.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.12 -50.13 67.25 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.585 0.707 . . . . 0.0 110.694 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.94 -24.66 36.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -37.25 85.32 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.19 -44.01 89.82 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.54 -41.35 98.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 83.7 m -61.51 -41.96 98.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.08 -40.57 96.53 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.618 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -59.61 -36.72 76.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.256 0.55 . . . . 0.0 109.826 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.26 90.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.852 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -64.52 -42.14 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.734 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -58.31 -42.44 86.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.609 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -64.96 -35.99 82.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.25 -2.31 58.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -91.49 -33.25 15.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.755 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -41.83 83.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.876 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 45.3 pt -60.95 -17.47 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.193 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.16 21.21 5.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -49.92 147.3 6.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -51.28 -30.86 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.043 2.495 . . . . 0.0 112.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.89 148.44 20.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.76 0.73 12.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.33 8.36 6.23 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -52.3 -41.02 62.56 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.01 -38.25 90.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.343 -1.298 . . . . 0.0 111.31 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -62.94 -41.26 99.44 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.556 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -67.53 -44.46 78.33 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.12 -38.7 73.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.582 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -64.61 -45.39 87.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.451 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.93 -43.76 91.7 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.64 93.93 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.024 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.46 -43.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.31 -45.43 93.25 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.03 -42.86 99.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 92.4 m -62.14 -42.19 99.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.626 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 32.9 mt -65.68 -38.15 88.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.147 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.95 -43.41 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -40.38 86.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.433 HG13 ' SG ' ' D' ' 41' ' ' CYS . 28.6 mt -62.46 -42.52 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.428 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.3 m -59.35 -43.85 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.41 -42.04 98.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.09 -41.72 98.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.84 -39.41 94.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.91 -43.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.83 -35.87 81.37 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.085 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -65.61 -44.18 93.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.914 0.388 . . . . 0.0 110.125 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.1 -43.23 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.333 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.9 -46.65 78.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.464 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 82.6 mmm -64.01 -47.5 80.03 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.076 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.33 -39.26 82.0 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.109 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.444 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.671 -179.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.78 -42.81 9.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.179 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.18 -45.29 77.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.601 0.715 . . . . 0.0 109.588 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 p -61.67 -27.0 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.432 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.08 -36.58 84.07 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.14 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.41 -46.85 65.86 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.312 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' N ' HD13 ' A' ' 7' ' ' LEU . 7.8 mp -58.41 -42.41 87.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.2 p -61.05 -48.73 80.38 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -57.38 -36.37 71.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.816 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.417 ' HG ' HH12 ' A' ' 14' ' ' ARG . 3.5 t -64.37 -32.69 74.41 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.14 90.04 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.809 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.71 -43.75 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mmt-85 -63.34 -45.23 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.189 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 HH12 ' HG ' ' A' ' 10' ' ' SER . 89.0 mtm-85 -55.11 -51.19 67.2 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.37 68.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.828 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -146.41 -16.39 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.965 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.3 -13.04 15.8 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -77.98 -17.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.339 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.16 -10.36 42.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.273 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.3 mtm -125.98 126.7 24.82 Favored Pre-proline 0 C--O 1.223 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.121 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.37 94.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.855 1.704 . . . . 0.0 111.22 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.6 154.75 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.43 -9.89 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.56 67.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.408 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' CZ ' HD22 ' E' ' 27' ' ' ASN . 99.3 mtt180 -59.04 -34.7 72.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.97 -38.74 92.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.558 HD22 ' CZ ' ' B' ' 25' ' ' ARG . 76.8 m-20 -64.16 -43.44 95.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.229 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.49 -44.1 97.68 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.962 -0.755 . . . . 1.94 108.962 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -61.19 -40.04 92.44 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.809 -1.542 . . . . 2.5 108.284 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -63.77 -44.46 93.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.045 -0.98 . . . . 2.32 110.471 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.36 -47.0 77.96 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.885 -0.726 . . . . 2.3 111.708 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 6.1 t80 -59.87 -52.44 65.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.39 -0.924 . . . . 2.6 109.978 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.61 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.504 -0.479 . . . . 2.3 111.529 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -58.97 -52.23 66.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.094 -0.642 . . . . 2.3 109.904 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.8 -43.25 80.75 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.392 -0.367 . . . . 2.59 110.904 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.417 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 98.9 m -67.01 -37.41 84.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.57 -0.452 . . . . 2.08 111.179 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -60.76 -42.43 97.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.952 -0.758 . . . . 2.1 108.952 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.83 -43.96 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 109.247 -0.649 . . . . 2.45 109.247 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.01 -42.53 99.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.833 -0.347 . . . . 2.36 110.818 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.32 -42.55 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.887 -0.783 . . . . 2.28 108.887 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.33 -43.79 98.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.97 -0.752 . . . . 2.23 108.97 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.98 -41.92 98.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.73 -0.214 . . . . 2.18 110.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.41 -43.24 96.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.963 -0.754 . . . . 2.45 108.963 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 2.36 110.151 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 mt -61.92 -43.59 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.202 -0.666 . . . . 2.22 109.202 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -39.3 86.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.351 -0.611 . . . . 2.27 109.351 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.39 -42.09 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.799 -0.637 . . . . 2.26 109.821 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.78 -44.26 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 N-CA-C 108.77 -0.826 . . . . 2.55 108.77 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.1 t -60.01 -44.81 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.237 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.98 -41.6 97.47 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.427 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.85 -41.86 95.35 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.826 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.694 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.44 -42.99 9.98 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.36 -44.76 78.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.8 0.81 . . . . 0.0 109.836 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 p -62.28 -26.54 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.394 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.31 -36.72 84.62 Favored 'General case' 0 N--CA 1.434 -1.239 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.206 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.04 -42.1 73.36 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.914 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.41 HD13 ' N ' ' B' ' 7' ' ' LEU . 7.8 mp -62.43 -42.42 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 74.4 p -63.28 -41.51 99.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.26 -36.66 84.4 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.029 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.456 ' HG ' HH12 ' B' ' 14' ' ' ARG . 4.0 t -64.19 -32.91 74.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.222 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.9 83.87 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.189 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.21 -43.9 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.746 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -65.42 -39.64 92.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.26 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.456 HH12 ' HG ' ' B' ' 10' ' ' SER . 88.3 mtm-85 -59.65 -46.84 87.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.86 69.79 0.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.901 -0.719 . . . . 0.0 112.761 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -147.5 -16.65 0.38 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.39 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.98 -13.12 15.88 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.01 -17.18 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.599 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -91.22 -10.92 39.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.401 ' N ' HH21 ' B' ' 25' ' ' ARG . 53.2 mtm -125.44 126.56 25.05 Favored Pre-proline 0 C--O 1.223 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -59.35 94.68 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 121.777 1.651 . . . . 0.0 111.395 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -141.72 154.88 45.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.144 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.54 -10.23 59.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -25.45 67.29 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.275 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.558 ' CZ ' HD22 ' A' ' 27' ' ' ASN . 99.4 mtt180 -58.98 -34.68 72.11 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.877 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.11 -41.28 99.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.55 HD22 ' CZ ' ' C' ' 25' ' ' ARG . 73.3 m-20 -63.23 -40.18 96.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.189 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.54 -44.24 94.78 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.79 -38.33 87.68 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.836 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -64.88 -45.6 85.31 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.986 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.09 -45.01 86.99 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.408 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 6.5 t80 -62.37 -49.92 73.64 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.364 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.63 -44.14 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.841 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.87 -47.85 83.18 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.499 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.21 -42.93 99.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.227 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 99.3 m -66.37 -38.18 86.99 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.341 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -60.16 -42.27 94.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.1 -43.5 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.323 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.06 -42.54 99.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.47 -42.85 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.78 -42.85 99.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.355 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.51 -41.21 98.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.338 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.4 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.41 -39.63 92.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.017 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 23.8 mt -62.25 -42.86 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.07 -38.98 88.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.625 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.72 -41.8 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.24 -44.61 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.901 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.33 -41.36 96.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.367 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.01 -41.76 95.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.668 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.759 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 -43.22 10.17 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.09 -44.97 78.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.688 0.756 . . . . 0.0 109.85 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.3 -26.39 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.352 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.45 -36.57 84.2 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.33 -42.03 72.45 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.893 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.402 ' N ' HD13 ' C' ' 7' ' ' LEU . 7.8 mp -62.5 -42.24 99.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 72.8 p -63.36 -41.52 98.84 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.38 -36.71 84.63 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.428 -0.806 . . . . 0.0 108.941 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.431 ' HG ' HH12 ' C' ' 14' ' ' ARG . 3.7 t -64.07 -32.87 74.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.29 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.86 83.78 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.031 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.411 HG22 HD12 ' C' ' 12' ' ' ILE . 34.5 mm -62.16 -43.76 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.835 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -65.75 -38.84 90.19 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.448 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . 0.431 HH12 ' HG ' ' C' ' 10' ' ' SER . 88.1 mtm-85 -60.33 -47.13 87.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.7 70.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -147.83 -16.8 0.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.442 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.95 -13.17 15.87 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.3 pt -77.88 -17.14 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.493 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.48 -10.42 40.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 53.6 mtm -125.86 126.54 24.87 Favored Pre-proline 0 C--O 1.224 -0.261 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.215 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.24 94.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.789 1.659 . . . . 0.0 111.403 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -141.68 154.6 45.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.209 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.37 -10.27 59.49 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.3 67.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.272 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.55 ' CZ ' HD22 ' B' ' 27' ' ' ASN . 99.4 mtt180 -59.21 -34.36 72.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.867 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -63.38 -41.41 98.78 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.56 HD22 ' CZ ' ' D' ' 25' ' ' ARG . 73.0 m-20 -63.13 -40.09 96.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.318 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.59 -44.24 94.58 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -61.78 -38.42 87.97 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 113.535 -1.666 . . . . 0.0 108.836 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -64.72 -45.73 85.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.028 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 -44.9 88.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.266 -0.573 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.421 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 6.5 t80 -62.63 -49.76 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.69 -44.15 96.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -61.81 -47.98 82.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.07 -42.94 99.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.421 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 99.1 m -66.38 -38.44 87.55 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 25.4 mt -59.97 -42.16 93.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.18 -43.45 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.17 -42.49 99.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.747 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.5 -42.85 97.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.77 -42.86 99.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.5 -41.16 98.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.42 -43.42 98.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.25 -39.59 92.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.122 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 24.3 mt -62.4 -42.73 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.2 m -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -42.93 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.664 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.69 -41.83 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.407 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.34 -44.63 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.045 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 73.5 mtm -64.13 -41.68 97.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.337 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.73 -41.96 95.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.907 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.2 -42.71 10.28 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.46 -45.0 77.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.611 0.72 . . . . 0.0 109.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.16 -26.25 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.286 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.64 -36.59 84.34 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -70.07 -42.15 73.19 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.964 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.401 HD13 ' N ' ' D' ' 7' ' ' LEU . 7.8 mp -62.41 -42.35 99.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -63.28 -41.6 99.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.16 -36.75 84.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.919 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' SER . . . . . 0.419 ' HG ' HH12 ' D' ' 14' ' ' ARG . 3.7 t -64.07 -32.96 74.7 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.323 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.98 84.27 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.024 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.98 -43.93 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.881 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -65.57 -38.98 91.09 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.352 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . 0.419 HH12 ' HG ' ' D' ' 10' ' ' SER . 87.8 mtm-85 -60.23 -47.28 86.65 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.54 70.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.845 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -147.7 -16.65 0.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.374 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.0 -13.15 15.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -77.78 -17.34 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.469 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.31 -10.31 41.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 53.8 mtm -126.0 126.48 24.81 Favored Pre-proline 0 C--O 1.223 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.218 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -59.18 94.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.818 1.679 . . . . 0.0 111.333 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.54 154.58 45.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.245 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.22 -10.48 59.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.37 67.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.281 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.56 ' CZ ' HD22 ' C' ' 27' ' ' ASN . 99.4 mtt180 -59.18 -34.4 72.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.878 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.34 -41.32 98.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.418 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.549 HD22 ' CZ ' ' E' ' 25' ' ' ARG . 73.7 m-20 -63.16 -40.11 96.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.254 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.66 -44.12 94.73 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 122.031 0.919 . . . . 0.0 108.541 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.89 -38.42 88.26 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.891 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -64.65 -45.77 85.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.087 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.88 -44.85 88.33 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.422 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 6.5 t80 -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.429 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.7 -44.28 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.682 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -61.71 -48.0 82.75 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.504 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.15 -42.69 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.317 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 96.9 m -66.57 -38.45 87.1 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 mt -59.78 -42.16 92.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 28.8 mm -64.32 -43.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.12 -42.49 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.54 -42.81 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.91 -42.91 99.64 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 mt -62.33 -41.09 98.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.47 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.36 -39.58 92.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.151 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.29 -42.83 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -61.14 -38.93 88.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.27 -42.81 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.676 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.77 -41.87 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.388 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.28 -44.65 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.018 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.11 -41.7 97.15 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.307 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.65 -42.06 95.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.853 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.37 -42.8 10.13 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.39 -45.03 77.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.72 0.771 . . . . 0.0 109.845 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -62.1 -26.48 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.453 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.34 -36.6 84.24 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.171 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -70.1 -42.1 73.15 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.944 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.52 -42.22 99.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.6 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 73.8 p -63.3 -41.71 98.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.1 -36.77 84.7 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' SER . . . . . 0.417 ' HG ' HH12 ' E' ' 14' ' ' ARG . 3.9 t -64.09 -32.76 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.277 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.91 83.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.166 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.19 -43.95 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.677 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 83.5 mmt-85 -65.38 -39.35 92.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.344 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . 0.417 HH12 ' HG ' ' E' ' 10' ' ' SER . 88.1 mtm-85 -59.86 -47.13 86.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.54 69.82 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.822 -0.751 . . . . 0.0 112.697 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -147.41 -16.7 0.38 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.458 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.94 -13.23 15.86 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 39.5 pt -77.77 -17.28 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.54 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -91.11 -10.77 40.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.186 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 53.7 mtm -125.64 126.55 24.96 Favored Pre-proline 0 C--O 1.223 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.362 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.32 94.57 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.753 1.636 . . . . 0.0 111.395 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.55 154.98 45.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.166 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.62 -10.34 59.61 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.43 67.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.228 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.549 ' CZ ' HD22 ' D' ' 27' ' ' ASN . 99.4 mtt180 -58.99 -34.75 72.2 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.74 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.11 -41.18 99.3 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.612 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.56 HD22 ' CZ ' ' A' ' 25' ' ' ARG . 73.3 m-20 -63.31 -40.16 96.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.233 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.6 -44.12 94.92 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -61.97 -38.29 87.98 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -64.8 -45.67 85.26 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.01 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.91 -44.9 88.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 6.4 t80 -62.59 -49.67 74.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.9 -44.15 96.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.91 -47.8 83.31 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.479 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -42.93 99.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 97.9 m -66.5 -38.31 86.98 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.0 mt -60.05 -42.31 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.0 -43.5 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.18 -42.38 99.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.404 HG22 HD12 ' E' ' 40' ' ' ILE . 30.1 mm -63.59 -42.81 97.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.77 -42.9 99.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.407 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.43 -41.22 98.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.24 -43.48 98.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.3 -39.64 92.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.082 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 23.9 mt -62.34 -42.94 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.96 -39.02 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.22 -42.86 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.75 -41.82 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.26 -44.69 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.2 -41.5 97.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.92 -41.72 95.33 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.674 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.807 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -90.7 -1.41 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.229 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.24 -44.76 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.446 0.641 . . . . 0.0 110.198 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.43 -29.17 41.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.721 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.45 -41.42 97.19 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -64.62 -39.72 94.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.25 -40.31 95.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -62.58 -41.41 98.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -63.71 -38.52 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.241 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.48 ' HG ' HH21 ' A' ' 13' ' ' ARG . 14.4 m -62.36 -32.25 73.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.443 0.639 . . . . 0.0 109.49 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.92 79.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.815 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -65.47 -43.03 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.756 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 HH21 ' HG ' ' A' ' 10' ' ' SER . 86.8 mtm-85 -60.97 -43.75 98.32 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.056 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.44 -43.06 98.49 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.339 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.52 63.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -82.0 -33.14 30.26 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.383 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.36 -38.93 85.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 pt -68.53 -15.15 19.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.68 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.63 -37.03 10.52 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.36 117.99 0.64 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.816 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.36 132.03 42.75 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.756 1.637 . . . . 0.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.61 175.2 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.725 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.8 -40.06 91.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.072 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.09 65.84 9.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HE ' HD22 ' E' ' 27' ' ' ASN . 81.8 mtt85 -54.84 -30.25 57.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.495 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.06 -39.93 95.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.434 HD22 ' HE ' ' B' ' 25' ' ' ARG . 91.7 m-20 -65.71 -43.35 89.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.64 -44.96 94.96 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.365 0.602 . . . . 1.88 109.918 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -63.18 -36.68 84.44 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.649 -1.159 . . . . 2.17 108.841 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.127 -0.942 . . . . 2.6 110.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.25 -47.94 59.12 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.422 -0.511 . . . . 2.37 110.192 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -55.87 -43.24 76.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.002 0.43 . . . . 2.42 111.798 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.1 mt -71.16 -43.18 75.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.013 -0.994 . . . . 2.3 110.374 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.35 -49.62 76.88 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.922 -0.581 . . . . 2.2 110.879 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.0 -37.43 85.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.616 -0.434 . . . . 2.49 110.612 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 m -64.4 -41.18 96.78 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.067 -0.653 . . . . 2.48 109.522 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.2 mt -66.61 -36.04 81.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.598 -1.183 . . . . 2.02 109.57 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.0 -45.14 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.327 -0.99 . . . . 2.06 108.327 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.71 -40.24 87.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 2.5 109.445 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD12 HG22 ' A' ' 40' ' ' ILE . 37.3 mm -63.36 -42.27 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.377 -0.971 . . . . 2.29 108.377 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' B' ' 40' ' ' ILE . 71.0 m -60.5 -46.53 89.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.052 -0.721 . . . . 2.18 109.052 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.42 -42.55 99.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.019 -0.363 . . . . 2.37 110.019 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.65 -42.23 92.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 2.32 109.966 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.7 -36.6 84.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.228 -0.442 . . . . 2.2 110.198 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.5 -42.24 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.572 -0.899 . . . . 2.3 108.572 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.03 -37.83 86.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 2.18 109.617 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 47' ' ' ILE . 36.7 mm -64.17 -42.58 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.19 -0.671 . . . . 2.32 109.19 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.1 -41.79 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 108.882 -0.785 . . . . 2.72 108.882 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.76 -43.97 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.762 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 87.8 mmm -63.12 -41.09 99.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.16 -37.84 88.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.875 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -90.61 -1.44 57.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -111.1 -45.01 3.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.638 . . . . 0.0 110.199 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.25 -28.95 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.686 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.75 -41.38 97.61 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.739 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -64.55 -39.84 94.48 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.26 -40.0 94.76 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.97 -41.29 99.5 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -63.76 -38.48 91.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.272 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.483 ' HG ' HH21 ' B' ' 13' ' ' ARG . 14.4 m -62.33 -32.49 73.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.428 0.632 . . . . 0.0 109.548 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.0 81.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.816 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -65.31 -43.02 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.767 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.483 HH21 ' HG ' ' B' ' 10' ' ' SER . 86.7 mtm-85 -61.1 -43.71 98.46 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.068 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.353 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.54 -17.94 63.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.066 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -81.53 -32.9 32.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.495 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -39.18 85.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.32 -15.32 19.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.852 0.358 . . . . 0.0 110.657 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -96.28 -37.31 10.57 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.1 118.05 0.66 Allowed Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 113.179 -1.828 . . . . 0.0 109.735 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -52.23 131.43 39.67 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 121.85 1.7 . . . . 0.0 111.307 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.15 175.32 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.795 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.72 -40.99 94.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.45 67.45 10.12 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.434 ' HE ' HD22 ' A' ' 27' ' ' ASN . 81.7 mtt85 -56.5 -29.71 62.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.41 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.77 -43.06 99.79 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.517 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.448 HD22 ' HE ' ' C' ' 25' ' ' ARG . 93.8 m-20 -64.19 -40.93 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.109 0.48 . . . . 0.0 110.215 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.98 -45.08 90.64 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.482 0.658 . . . . 0.0 109.354 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -63.84 -35.88 82.09 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.223 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.98 -44.04 93.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.52 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.15 -44.54 75.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.385 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.54 -48.29 79.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.089 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.6 -43.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.175 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.28 -49.36 77.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.72 -37.83 87.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.44 -44.38 94.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.5 -43.01 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.65 -40.09 93.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.477 HG22 HD12 ' B' ' 40' ' ' ILE . 37.6 mm -63.37 -42.3 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.41 ' SG ' ' CD1' ' C' ' 40' ' ' ILE . 71.1 m -61.05 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.87 98.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.59 -42.27 98.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.682 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.94 -35.99 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.07 -42.31 92.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.89 -37.69 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.614 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.464 HD11 HG23 ' B' ' 47' ' ' ILE . 36.7 mm -64.21 -42.96 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.65 -41.67 93.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.05 -43.85 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.9 mmm -63.12 -41.05 99.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.254 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.27 -37.99 88.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.864 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -90.95 -1.7 57.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -110.9 -45.04 3.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.499 0.666 . . . . 0.0 110.269 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.18 -29.06 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.715 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.67 -41.4 97.49 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.82 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -64.59 -39.72 94.24 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.4 -39.91 94.79 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -41.31 99.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -63.57 -38.62 91.82 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.485 ' HG ' HH21 ' C' ' 13' ' ' ARG . 14.5 m -62.34 -32.22 72.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.457 0.646 . . . . 0.0 109.583 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.59 -41.08 80.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.702 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 23.0 mt -65.32 -43.11 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.849 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.485 HH21 ' HG ' ' C' ' 10' ' ' SER . 86.6 mtm-85 -61.01 -43.7 98.5 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -63.34 -42.94 98.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.4 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.4 -17.42 63.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.093 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -82.12 -32.93 29.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.385 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.46 -39.06 85.29 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -68.41 -15.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.888 0.375 . . . . 0.0 110.72 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -96.41 -37.39 10.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttm -168.04 117.92 0.66 Allowed Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 113.17 -1.832 . . . . 0.0 109.814 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.35 131.46 40.29 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.775 1.65 . . . . 0.0 111.314 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.17 175.05 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.769 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.41 -41.02 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.51 67.56 10.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.448 ' HE ' HD22 ' B' ' 27' ' ' ASN . 81.8 mtt85 -56.68 -29.97 62.92 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.58 -42.89 99.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.445 HD22 ' HE ' ' D' ' 25' ' ' ARG . 93.9 m-20 -64.38 -40.84 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.27 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.98 -45.17 90.24 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.435 0.636 . . . . 0.0 109.307 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -63.71 -36.12 82.8 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.187 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -63.71 -44.3 94.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.01 -44.52 76.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.362 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.55 -48.3 79.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.011 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.54 -43.11 87.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.103 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.14 -49.32 78.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -65.8 -37.71 87.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.208 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.58 -44.56 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.2 -35.64 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.39 -42.91 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.62 -40.1 93.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.493 HG22 HD12 ' C' ' 40' ' ' ILE . 37.6 mm -63.36 -42.33 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.423 ' SG ' ' CD1' ' D' ' 40' ' ' ILE . 72.0 m -61.31 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.5 -40.53 97.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.05 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.78 -42.39 98.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.754 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.82 -36.09 82.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.332 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.27 92.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.79 -37.8 85.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.602 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.463 HG23 HD11 ' C' ' 47' ' ' ILE . 37.0 mm -64.17 -42.97 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.63 -41.71 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.92 -43.75 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.5 mmm -63.3 -40.94 98.73 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.35 -37.76 88.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.567 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.902 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -90.44 -1.78 57.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -110.73 -44.99 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.408 0.623 . . . . 0.0 110.304 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.24 -29.19 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.67 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.44 -41.51 97.3 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.789 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -64.56 -39.79 94.38 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.35 -39.76 94.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -63.13 -41.32 99.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -63.65 -38.47 91.25 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.27 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' SER . . . . . 0.477 ' HG ' HH21 ' D' ' 13' ' ' ARG . 14.5 m -62.38 -32.33 73.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.382 0.611 . . . . 0.0 109.526 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.12 80.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.728 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -65.34 -43.11 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.839 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.477 HH21 ' HG ' ' D' ' 10' ' ' SER . 86.5 mtm-85 -60.98 -43.71 98.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.138 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -63.43 -42.68 98.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.336 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.73 -17.18 63.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -82.24 -32.85 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.476 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.64 -39.04 84.64 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.39 -15.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.886 0.374 . . . . 0.0 110.683 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -96.74 -37.26 10.37 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttm -168.14 117.89 0.65 Allowed Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 113.179 -1.828 . . . . 0.0 109.766 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.32 131.27 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.851 1.701 . . . . 0.0 111.355 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -67.0 174.94 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.4 -40.74 92.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.117 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.84 67.53 10.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.445 ' HE ' HD22 ' C' ' 27' ' ' ASN . 81.7 mtt85 -56.66 -29.7 62.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.378 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.8 -43.01 99.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.419 HD22 ' HE ' ' E' ' 25' ' ' ARG . 94.0 m-20 -64.3 -40.88 96.83 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.246 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.98 -45.15 90.36 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -63.66 -36.17 82.96 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.227 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -63.73 -44.41 93.63 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.58 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.96 -44.41 76.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.378 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.66 -48.11 80.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.959 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.69 -43.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.157 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.32 -48.97 79.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -66.04 -37.84 86.88 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.198 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.58 -44.57 93.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.14 -35.71 81.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.047 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.31 -42.93 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.59 -40.14 93.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.477 HD12 HG22 ' D' ' 40' ' ' ILE . 37.9 mm -63.39 -42.35 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.43 ' SG ' ' CD1' ' E' ' 40' ' ' ILE . 71.4 m -61.22 -45.2 95.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.542 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.53 -40.7 97.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.39 98.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.709 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.7 -36.32 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.254 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.92 -42.23 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 81.3 m -61.92 -37.74 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.559 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . 0.403 HG23 HD11 ' D' ' 47' ' ' ILE . 37.0 mm -64.18 -42.91 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.72 -41.6 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.06 -43.75 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.26 -40.87 98.64 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.238 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.46 -37.77 87.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.834 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mtp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -90.56 -1.62 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.198 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.95 -44.94 3.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.506 0.669 . . . . 0.0 110.239 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.38 -29.05 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.716 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.67 -41.36 97.46 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -64.51 -39.76 94.37 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -62.41 -39.86 94.66 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.97 -41.45 99.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -63.61 -38.46 91.22 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.243 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' SER . . . . . 0.474 ' HG ' HH21 ' E' ' 13' ' ' ARG . 14.4 m -62.38 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.361 0.6 . . . . 0.0 109.419 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.21 80.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.742 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -65.29 -43.06 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.865 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.474 HH21 ' HG ' ' E' ' 10' ' ' SER . 86.6 mtm-85 -61.08 -43.58 98.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.66 -42.78 98.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -17.63 63.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.3 m -81.88 -32.94 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -39.08 85.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -68.42 -15.18 19.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.677 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -96.42 -37.29 10.51 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.21 118.07 0.65 Allowed Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 113.177 -1.829 . . . . 0.0 109.78 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -52.45 131.12 39.18 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.777 1.651 . . . . 0.0 111.413 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.68 175.25 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.77 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.77 -40.91 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.5 67.36 10.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.419 ' HE ' HD22 ' D' ' 27' ' ' ASN . 81.7 mtt85 -56.39 -29.88 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.352 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.54 -43.39 98.94 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.51 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.438 HD22 ' HE ' ' A' ' 25' ' ' ARG . 93.8 m-20 -64.04 -40.82 97.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.213 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.92 -45.3 89.86 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.206 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.8 -44.56 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.409 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.5 -48.34 79.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.7 -43.05 86.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.072 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.28 -49.3 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -65.82 -37.81 87.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.61 -44.29 94.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.42 -35.56 81.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.043 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.43 -43.09 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.53 -40.08 93.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.478 HG22 HD12 ' E' ' 40' ' ' ILE . 37.6 mm -63.42 -42.32 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 40' ' ' ILE . 71.8 m -61.09 -45.47 94.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.596 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -40.72 98.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.084 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.24 98.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.73 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.99 -36.03 82.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.36 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.91 -37.56 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . 0.456 HG23 HD11 ' E' ' 47' ' ' ILE . 36.5 mm -64.3 -42.99 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.61 -41.64 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.02 -43.88 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.777 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -63.07 -41.0 99.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.39 -37.92 88.44 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.908 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -79.54 6.88 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.292 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.16 -46.54 89.33 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.41 -32.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.027 -1.442 . . . . 0.0 111.004 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -34.03 77.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.24 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -66.89 -54.49 21.69 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 7' ' ' LEU . 7.3 mp -55.73 -39.53 71.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.3 m -61.01 -49.89 75.58 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -56.28 -44.66 80.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.278 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -65.82 -32.08 73.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.103 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.28 94.28 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.52 -43.2 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.388 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -62.46 -45.46 92.97 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.214 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -53.49 -55.61 23.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.79 69.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.119 -1.032 . . . . 0.0 112.284 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -142.52 -25.82 0.63 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.115 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.5 -15.04 17.26 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.5 pt -67.99 -19.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.74 -10.14 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.028 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.469 ' N ' HH21 ' A' ' 25' ' ' ARG . 47.1 mtm -119.79 110.75 36.5 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.667 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -49.82 95.44 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 122.304 2.003 . . . . 0.0 111.433 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.09 156.64 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.826 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -70.88 -11.39 60.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.6 68.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.747 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.469 HH21 ' N ' ' A' ' 20' ' ' MET . 95.2 mtt180 -58.57 -38.75 78.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -66.9 -35.0 79.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.268 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -64.03 -42.83 96.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -45.87 81.25 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 119.967 -0.693 . . . . 2.02 109.682 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.72 -40.75 69.54 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 114.522 -1.217 . . . . 2.01 108.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.455 -1.248 . . . . 2.64 111.036 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.79 -48.6 63.24 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.374 -0.531 . . . . 2.4 111.766 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -58.41 -40.03 81.32 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.523 -0.471 . . . . 2.38 111.251 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -68.24 -43.56 84.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.521 -0.763 . . . . 2.3 109.927 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.7 -46.21 89.19 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.596 -0.441 . . . . 2.2 110.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -62.66 -42.73 99.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.82 -0.352 . . . . 2.4 110.277 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.84 -39.26 93.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.448 -0.501 . . . . 2.52 109.805 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -65.99 -38.27 88.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.1 109.975 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.24 -43.69 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.919 -0.771 . . . . 1.99 108.919 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.49 -40.47 82.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.33 -0.619 . . . . 2.44 109.33 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.458 HG21 HD11 ' A' ' 40' ' ' ILE . 37.2 mm -63.29 -42.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.664 -0.865 . . . . 2.39 108.664 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' B' ' 40' ' ' ILE . 73.4 m -60.62 -45.05 95.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.943 -0.762 . . . . 2.18 108.943 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.7 -43.06 99.58 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.669 0.271 . . . . 2.23 110.574 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.99 -42.78 90.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 2.35 109.133 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.55 -39.07 93.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.593 . . . . 2.27 109.617 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.39 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.795 -0.817 . . . . 2.37 108.795 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.95 -39.33 89.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.572 . . . . 2.32 109.669 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.13 -41.63 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.645 -0.707 . . . . 2.13 110.147 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.18 -44.22 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.561 -0.745 . . . . 2.66 109.176 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.2 -44.66 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.957 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 47.2 mtt -64.08 -39.1 93.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.226 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.82 -38.77 92.1 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.994 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mtp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.42 6.53 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.256 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.43 -45.26 94.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.771 0.796 . . . . 0.0 108.859 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.4 -32.56 58.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -34.58 78.23 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.265 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -67.14 -47.2 71.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.432 HD11 ' N ' ' B' ' 7' ' ' LEU . 7.3 mp -62.31 -40.43 96.28 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.382 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 72.6 m -61.94 -43.84 98.01 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -61.98 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.583 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -65.88 -32.29 73.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.237 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.74 93.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.087 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.0 mt -62.81 -43.34 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.062 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -65.25 -38.25 89.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.493 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -59.69 -51.66 68.82 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.98 71.13 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -143.7 -26.47 0.55 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.24 -15.3 17.35 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 pt -67.87 -19.5 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.0 109.569 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.82 -10.27 26.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.949 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.469 ' N ' HH21 ' B' ' 25' ' ' ARG . 47.1 mtm -119.81 110.85 36.38 Favored Pre-proline 0 C--O 1.224 -0.244 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.92 95.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.236 1.957 . . . . 0.0 111.421 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.38 156.23 44.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.908 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.55 -11.42 60.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -26.11 68.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.469 HH21 ' N ' ' B' ' 20' ' ' MET . 95.3 mtt180 -58.09 -38.75 77.01 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -66.31 -36.96 84.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.012 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.24 -39.35 94.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.45 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -45.76 70.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.021 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.79 -40.14 69.15 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.095 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -63.81 -44.65 92.66 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.464 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -45.04 87.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.76 -43.97 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.769 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.27 -43.57 95.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.63 -47.2 84.79 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.987 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.05 -43.91 98.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 76.2 m -61.7 -41.6 97.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.62 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.21 -38.34 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -62.16 -42.12 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.98 -40.36 88.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.433 HD13 ' SG ' ' A' ' 41' ' ' CYS . 37.4 mm -63.17 -42.54 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' C' ' 40' ' ' ILE . 74.0 m -61.11 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.735 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.09 -41.57 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.18 -42.24 98.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.75 -39.04 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.553 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.27 -39.15 89.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.87 -42.83 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.05 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.47 -42.62 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.631 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.84 -44.67 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.613 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.7 mtt -64.11 -38.83 92.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.183 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.98 -39.09 92.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.184 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -79.5 6.46 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.249 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.24 -45.26 93.86 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.53 -32.46 58.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -34.29 77.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.304 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.46 -47.05 71.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.433 HD11 ' N ' ' C' ' 7' ' ' LEU . 7.2 mp -62.32 -40.7 97.2 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.313 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 68.1 m -61.95 -43.51 98.69 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -62.47 -43.9 97.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.708 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -66.09 -32.05 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.095 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.72 92.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.176 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.87 -43.36 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.86 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.636 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -59.9 -51.93 67.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.49 71.02 0.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.394 -0.923 . . . . 0.0 112.814 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -143.85 -25.84 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.53 -15.21 17.18 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 pt -67.89 -19.79 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.61 -10.35 27.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.824 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' MET . . . . . 0.468 ' N ' HH21 ' C' ' 25' ' ' ARG . 47.9 mtm -119.59 110.72 36.86 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.641 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -49.83 95.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.17 1.914 . . . . 0.0 111.586 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.56 156.37 44.58 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.851 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.42 -11.74 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -26.04 68.43 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.703 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.468 HH21 ' N ' ' C' ' 20' ' ' MET . 95.3 mtt180 -58.31 -38.87 77.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.705 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.078 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.33 -39.2 93.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.482 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -45.82 70.65 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.047 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.93 -40.0 69.43 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.036 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -63.87 -44.65 92.46 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.501 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.22 -44.95 86.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -60.74 -44.25 96.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.586 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.09 -43.66 95.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.487 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.63 -46.88 86.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.714 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.42 -38.19 90.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mm -62.39 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.04 -40.2 88.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.446 HG21 HD11 ' C' ' 40' ' ' ILE . 36.8 mm -63.36 -42.53 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.431 ' SG ' HD13 ' D' ' 40' ' ' ILE . 74.0 m -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.709 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.95 -41.38 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.35 -41.89 97.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.25 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.571 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.45 -43.0 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.52 -39.03 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -64.97 -42.76 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.54 -42.72 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.642 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.61 -44.87 99.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 46.3 mtt -63.97 -39.08 93.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.22 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.79 -38.93 92.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.292 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -79.69 6.64 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.38 -45.01 95.09 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.867 0.841 . . . . 0.0 109.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.69 -32.45 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -34.32 77.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.326 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -67.41 -46.97 71.63 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.43 HD11 ' N ' ' D' ' 7' ' ' LEU . 7.2 mp -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.281 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 69.7 m -62.13 -43.54 98.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -62.36 -43.93 97.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.592 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -66.05 -32.26 73.62 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.123 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.79 93.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.136 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 23.7 mt -62.94 -43.22 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.827 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -65.23 -38.29 89.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -59.63 -51.62 69.04 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.85 71.02 0.14 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.829 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 16.1 m -143.79 -25.87 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.837 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.44 -15.55 17.14 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.62 -19.94 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.291 0.567 . . . . 0.0 109.546 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.52 -10.27 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.97 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' MET . . . . . 0.458 ' N ' HH21 ' D' ' 25' ' ' ARG . 47.3 mtm -119.64 110.8 36.7 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -49.84 95.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.177 1.918 . . . . 0.0 111.481 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -143.86 155.91 44.28 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.832 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.02 -11.75 61.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -26.14 68.49 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.811 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.458 HH21 ' N ' ' D' ' 20' ' ' MET . 95.3 mtt180 -58.16 -38.78 77.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -66.18 -37.21 85.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.26 -39.39 94.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.488 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -45.59 71.26 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.077 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -54.82 -40.3 69.42 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.95 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -63.54 -44.93 92.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.56 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.86 -44.96 88.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.754 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.03 -43.67 95.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.7 -46.64 87.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.097 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.46 -43.48 98.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.3 m -62.18 -41.41 98.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.666 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.33 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.368 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.26 -41.92 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.28 -40.06 89.08 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.447 HG21 HD11 ' D' ' 40' ' ' ILE . 37.2 mm -63.52 -42.45 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.421 ' SG ' HD13 ' E' ' 40' ' ' ILE . 73.8 m -61.25 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.655 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.47 -42.06 98.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.94 -38.9 92.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.627 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.37 -43.01 97.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.53 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.91 -42.78 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.957 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.55 -42.65 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.743 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.69 -44.8 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.608 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 46.8 mtt -64.02 -39.05 93.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.77 -38.9 92.54 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.178 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -79.64 6.34 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.26 -44.8 94.97 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.739 0.78 . . . . 0.0 109.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.79 -32.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -34.81 78.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.228 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -67.03 -47.25 71.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.432 HD11 ' N ' ' E' ' 7' ' ' LEU . 7.3 mp -62.15 -40.74 96.99 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -61.89 -43.69 98.34 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -62.21 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.645 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -66.31 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.121 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.85 93.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -62.75 -43.33 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.901 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -65.23 -38.28 89.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.595 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -59.75 -51.65 68.84 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.8 71.02 0.14 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.873 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -143.64 -26.26 0.56 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.726 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.23 -15.5 17.29 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.5 -19.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.8 -10.16 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' MET . . . . . 0.471 ' N ' HH21 ' E' ' 25' ' ' ARG . 47.6 mtm -119.82 110.83 36.38 Favored Pre-proline 0 C--O 1.225 -0.207 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.604 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -49.85 95.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.25 1.967 . . . . 0.0 111.439 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -143.53 156.14 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.878 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.24 -11.57 60.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.19 68.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.687 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.471 HH21 ' N ' ' E' ' 20' ' ' MET . 95.3 mtt180 -58.07 -38.58 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -66.46 -37.09 84.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.111 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -63.23 -39.68 95.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -45.78 72.1 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.02 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -54.8 -40.32 69.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.965 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -63.48 -45.2 91.87 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.73 -44.91 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.55 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.24 -43.51 95.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -62.56 -46.72 87.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -61.43 -43.78 98.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 76.3 m -61.89 -41.67 98.16 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.354 -0.539 . . . . 0.0 109.633 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.8 mt -64.22 -38.24 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.313 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mm -62.29 -42.02 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.13 -40.26 89.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.464 HG21 HD11 ' E' ' 40' ' ' ILE . 37.3 mm -63.23 -42.4 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.409 ' SG ' HD13 ' A' ' 40' ' ' ILE . 74.4 m -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.756 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.19 -41.46 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.76 -39.03 93.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.49 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.42 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.04 -42.79 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 81.2 mt -63.41 -42.65 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.608 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.83 -44.64 99.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.648 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 47.2 mtt -64.03 -39.03 93.18 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.14 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.75 -39.17 93.18 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 ttp . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.79 3.46 29.34 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.96 -39.26 93.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.937 0.875 . . . . 0.0 108.732 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.5 -25.93 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.157 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.19 -36.04 82.95 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.127 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -69.72 -40.82 76.0 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 7' ' ' LEU . 8.0 mp -63.21 -44.89 94.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.055 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -66.49 -38.5 87.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -63.84 -42.18 97.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.792 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -68.58 -30.27 68.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.793 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.1 96.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.8 mt -63.77 -41.91 94.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.027 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.39 -38.96 88.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.33 -39.6 95.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.98 -9.28 58.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.61 -21.78 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.92 -31.74 27.62 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.041 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.11 -12.1 15.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -138.1 20.5 2.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -35.71 124.54 0.65 Allowed Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 124.068 0.855 . . . . 0.0 111.633 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.95 110.51 3.09 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 121.899 1.733 . . . . 0.0 111.374 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.31 -173.71 2.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.229 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.87 -21.89 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.502 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.13 66.97 1.53 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -55.92 -32.21 63.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 110.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -67.98 -42.52 80.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt -64.14 -46.59 83.41 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.193 -0.669 . . . . 1.9 109.193 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -58.93 -38.62 79.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.551 -1.204 . . . . 2.19 108.357 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -64.27 -40.21 95.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.707 -1.133 . . . . 2.65 109.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.8 -47.75 65.33 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.426 -0.51 . . . . 2.34 111.263 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.81 -40.34 83.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.386 -0.526 . . . . 2.37 111.241 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.14 -43.69 81.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 2.3 109.955 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.23 -46.53 88.43 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.428 -0.509 . . . . 2.29 110.168 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -63.22 -43.36 98.33 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.188 -0.205 . . . . 2.47 110.652 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.57 -39.28 93.99 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.386 -0.526 . . . . 2.42 110.15 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.57 -39.14 91.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.349 -0.841 . . . . 2.01 109.437 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.1 -44.91 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.891 -0.781 . . . . 2.19 108.891 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.63 -38.13 86.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.659 -0.497 . . . . 2.56 109.659 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.94 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.723 -0.844 . . . . 2.26 108.723 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.74 -40.63 95.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.029 -0.987 . . . . 1.99 109.391 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.67 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.881 -0.414 . . . . 2.34 109.881 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.256 -0.646 . . . . 2.54 109.256 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.97 -39.21 94.0 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.761 -0.654 . . . . 2.24 109.486 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -58.78 -41.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.446 -0.946 . . . . 2.22 108.446 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.73 -36.57 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 2.11 109.294 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 HG21 HD11 ' A' ' 47' ' ' ILE . 38.0 mm -63.91 -42.73 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 2.27 109.298 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.84 -43.74 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 109.038 -0.727 . . . . 2.92 109.038 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -60.92 -45.22 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.297 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 88.1 mmm -63.67 -40.47 96.9 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.39 -38.71 92.0 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.04 3.45 26.72 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.06 -38.9 92.75 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 122.025 0.917 . . . . 0.0 108.726 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 m -61.04 -25.97 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.933 -1.485 . . . . 0.0 110.123 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.99 -36.42 84.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.142 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.46 -40.92 76.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.409 HD13 ' N ' ' B' ' 7' ' ' LEU . 7.9 mp -63.63 -42.65 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.82 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 75.5 p -69.24 -36.54 77.27 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.95 -42.4 94.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.507 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -68.53 -30.46 69.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.745 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.15 94.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.64 -42.14 94.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.002 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -60.82 -39.29 88.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.405 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -62.94 -40.15 96.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.06 58.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.92 -21.42 23.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -83.23 -31.89 26.77 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.968 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.05 -12.04 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -138.2 20.81 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.228 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.45 124.65 0.74 Allowed Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 124.02 0.825 . . . . 0.0 111.702 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.81 110.32 3.06 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.008 1.805 . . . . 0.0 111.442 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -120.42 -173.62 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -67.64 -22.57 65.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.67 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.07 71.74 1.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.679 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -60.35 -31.49 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.34 -33.12 75.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.981 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.09 -41.28 90.88 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.21 -47.56 79.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -59.26 -37.01 76.56 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.933 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.412 HD22 HD22 ' B' ' 34' ' ' ASN . 7.7 t-20 -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.372 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.92 -44.4 85.26 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.16 -44.97 96.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.09 -43.74 95.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.654 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . 0.412 HD22 HD22 ' B' ' 30' ' ' ASN . 95.6 m-20 -62.52 -46.7 87.22 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.977 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -62.22 -43.75 98.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 90.7 m -63.49 -41.68 98.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.785 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.38 -39.4 94.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.987 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.97 -43.14 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.78 -38.66 91.5 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.72 -42.64 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.05 -39.99 94.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.959 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -41.57 99.57 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.79 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.08 -43.43 98.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.15 -36.94 85.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.78 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.78 -41.33 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.68 -36.31 78.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.423 HG21 HD11 ' B' ' 47' ' ' ILE . 37.4 mm -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.9 -42.76 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.459 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.96 -44.94 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.107 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.69 -40.53 97.03 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.221 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.39 -38.61 91.65 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.56 3.38 28.83 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.85 -38.9 92.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 122.003 0.906 . . . . 0.0 108.726 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 4.0 m -61.12 -25.85 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.224 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.14 -36.21 83.54 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.086 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.57 -40.92 76.47 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.882 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.413 HD13 ' N ' ' C' ' 7' ' ' LEU . 7.8 mp -63.69 -42.71 97.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 76.9 p -69.03 -36.59 77.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -65.04 -42.17 94.54 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.58 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -68.68 -30.35 69.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.702 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.27 94.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -64.66 -42.0 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.896 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -60.95 -38.91 87.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.462 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.36 -39.84 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 109.442 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.8 -9.19 58.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.491 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -88.81 -21.84 23.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.74 -32.03 28.1 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.988 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 45.3 pt -68.84 -12.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -138.19 20.84 2.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.261 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.31 124.44 0.73 Allowed Pre-proline 0 CA--C 1.534 0.351 0 O-C-N 124.083 0.864 . . . . 0.0 111.587 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.9 110.94 3.18 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 121.845 1.697 . . . . 0.0 111.321 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.79 -173.82 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.163 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -22.67 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.6 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.91 71.7 1.46 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -60.27 -31.82 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -64.01 -32.9 74.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.986 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' C' ' 26' ' ' GLN . 86.6 m-20 -66.39 -41.29 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.409 -0.517 . . . . 0.0 109.713 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.36 -46.85 81.62 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.83 -36.7 77.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.896 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . 0.41 HD22 HD22 ' C' ' 34' ' ' ASN . 7.6 t-20 -65.13 -43.28 92.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.338 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.14 -44.5 84.0 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.12 -45.09 96.09 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.712 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.93 -43.84 96.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . 0.41 HD22 HD22 ' C' ' 30' ' ' ASN . 95.7 m-20 -62.39 -46.88 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.045 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.14 -43.7 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.562 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 91.9 m -63.49 -41.73 98.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.762 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.7 mt -63.46 -39.27 94.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.92 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -43.15 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.82 -38.77 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.53 -42.52 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 96.4 m -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.943 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.12 -41.59 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.713 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 60.2 mt -63.02 -43.43 98.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.1 -37.17 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.6 -41.35 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.62 -36.74 79.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.56 -43.3 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.69 -42.75 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.469 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.98 -45.0 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.085 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.8 -40.41 96.58 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.37 -38.8 92.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.037 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.28 3.32 28.08 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.87 -38.94 92.96 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.912 0.863 . . . . 0.0 108.68 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m -60.83 -26.04 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.2 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.17 -36.05 83.0 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.196 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.66 -40.78 76.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.771 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.4 HD13 ' N ' ' D' ' 7' ' ' LEU . 7.9 mp -63.85 -42.72 97.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 76.4 p -69.06 -36.68 77.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -64.98 -42.18 94.78 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.566 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -68.61 -30.63 69.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.741 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.3 95.21 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 23.6 mt -64.57 -42.0 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.026 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.04 -38.69 87.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.448 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.67 -39.63 94.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -9.19 58.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.38 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.79 -22.0 23.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.7 -32.02 28.24 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.108 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 45.8 pt -68.9 -12.05 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -138.31 20.76 2.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.277 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.26 124.54 0.72 Allowed Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 124.12 0.888 . . . . 0.0 111.654 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.88 110.59 3.11 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.916 1.744 . . . . 0.0 111.354 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -120.59 -174.11 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.086 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -67.25 -22.58 65.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.637 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.9 71.49 1.46 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -60.07 -32.19 70.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -63.7 -32.79 74.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.026 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' D' ' 26' ' ' GLN . 86.5 m-20 -66.28 -41.31 90.02 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.227 0.537 . . . . 0.0 109.784 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.39 -47.08 80.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.71 -36.96 77.6 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.81 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . 0.402 HD22 HD22 ' D' ' 34' ' ' ASN . 7.7 t-20 -64.79 -43.33 93.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.416 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.21 -44.38 84.04 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -61.19 -44.98 96.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.675 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.04 -43.88 95.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . 0.402 HD22 HD22 ' D' ' 30' ' ' ASN . 95.5 m-20 -62.32 -46.92 86.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.173 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.93 -43.99 97.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -63.34 -41.75 98.89 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.791 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -63.39 -39.26 94.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.06 -43.33 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.72 -38.73 91.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.63 -42.64 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.26 -39.49 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.97 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.99 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.31 -37.08 85.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.56 -41.52 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.48 -36.59 78.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.73 -43.1 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.89 -42.72 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.84 -44.9 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.85 -40.49 96.68 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.199 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.31 -38.75 92.15 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.916 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.9 ttp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.16 3.19 28.12 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.78 -38.97 93.1 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.961 0.886 . . . . 0.0 108.674 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m -60.84 -25.96 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 113.93 -1.487 . . . . 0.0 110.253 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.14 -36.19 83.46 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.151 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.55 -40.64 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.765 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.89 -42.68 97.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 76.8 p -69.22 -36.72 77.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -64.75 -42.3 95.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.564 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 78.4 p -68.7 -30.5 69.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.762 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.27 94.92 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -64.54 -41.98 93.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.998 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -60.93 -38.95 87.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.461 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.36 -39.99 96.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.69 -9.18 58.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.95 -21.63 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.96 -32.0 27.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.067 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 pt -68.82 -12.47 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.991 0.424 . . . . 0.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -137.92 20.92 2.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.239 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.42 124.72 0.74 Allowed Pre-proline 0 CA--C 1.535 0.381 0 O-C-N 124.073 0.858 . . . . 0.0 111.58 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.92 110.49 3.09 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -120.41 -173.77 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.55 -22.59 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.81 71.52 1.46 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -60.26 -31.77 70.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -33.11 74.95 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.073 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -66.2 -41.53 90.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.98 -47.19 81.34 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.62 -37.28 78.2 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.808 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . 0.42 HD22 HD22 ' E' ' 34' ' ' ASN . 7.7 t-20 -64.5 -43.48 93.99 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.384 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.11 -44.35 84.6 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.05 -45.04 96.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.803 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.11 -43.83 95.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.697 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . 0.42 HD22 HD22 ' E' ' 30' ' ' ASN . 95.8 m-20 -62.29 -46.83 86.99 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -62.09 -43.83 97.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.41 -41.82 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.77 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.45 -39.15 93.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.069 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.23 -43.16 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.59 -42.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.2 -39.82 94.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.05 -41.69 99.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.784 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.05 -43.34 98.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.31 -36.78 84.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.8 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.87 -41.29 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 70.7 m -60.74 -36.53 79.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . 0.417 HG21 HD11 ' E' ' 47' ' ' ILE . 37.5 mm -63.55 -43.12 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.92 -44.95 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.167 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.2 mmm -63.78 -40.55 96.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.188 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.37 -38.73 92.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.922 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -69.82 -15.89 63.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.538 . . . . 0.0 109.79 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.61 -36.78 79.43 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.647 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -58.53 -28.43 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.553 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.99 -37.74 84.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.857 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -62.35 -49.26 76.26 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 7' ' ' LEU . 8.2 mp -60.93 -40.08 91.84 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.285 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 m -59.5 -49.97 75.71 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -60.47 -42.23 95.79 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.36 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 p -63.63 -33.03 74.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.729 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.88 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.865 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.1 mt -63.29 -43.56 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.749 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -64.54 -43.62 93.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.433 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -60.74 -44.82 96.19 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.71 70.46 0.45 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 -64.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.562 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 t -68.58 -31.83 71.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.403 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.85 -5.9 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.019 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.64 -16.21 16.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.723 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -57.94 -43.02 98.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.452 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 20' ' ' MET . 22.7 Cg_exo -58.49 152.28 55.89 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.267 1.978 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.806 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -85.44 16.38 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.9 -42.65 72.43 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -51.18 -40.48 58.74 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.924 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.48 -42.89 70.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.001 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.53 -50.81 72.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.153 0.502 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -63.19 -39.86 95.86 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.786 -0.82 . . . . 2.05 108.786 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.36 -39.42 75.95 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.245 -1.343 . . . . 2.12 108.211 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -64.24 -41.25 97.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.997 -1.001 . . . . 2.53 110.455 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.35 -47.11 71.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.25 -0.58 . . . . 2.43 111.686 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -60.03 -42.58 94.7 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.442 -0.503 . . . . 2.53 111.323 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -69.92 -44.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.8 -0.636 . . . . 2.32 110.943 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -62.71 -48.48 79.06 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.275 -0.57 . . . . 2.21 110.357 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -61.26 -42.0 97.88 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.834 -0.346 . . . . 2.46 110.319 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.8 m -64.91 -41.71 95.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.104 0.478 . . . . 2.45 110.766 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.5 mt -66.1 -38.97 89.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.514 -0.766 . . . . 2.21 109.735 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 108.204 -1.036 . . . . 2.09 108.204 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.8 -41.93 87.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.271 -0.64 . . . . 2.3 109.271 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mt -64.15 -43.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.93 -47.83 84.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.485 -0.931 . . . . 2.4 108.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.66 -43.13 97.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.98 -0.378 . . . . 2.23 109.98 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.88 -43.06 90.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.305 -0.628 . . . . 2.26 109.305 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.31 -40.65 96.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.746 -0.661 . . . . 2.37 109.607 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.05 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.18 -0.674 . . . . 2.43 109.18 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -60.93 -37.92 83.97 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.61 -0.723 . . . . 2.46 110.064 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.45 -39.79 83.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.515 -0.766 . . . . 2.25 110.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.25 -43.12 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.703 0.763 . . . . 2.4 108.984 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.14 -44.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.494 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.1 mtt -63.69 -43.58 96.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.863 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.45 -38.95 78.01 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.256 0.551 . . . . 0.0 109.842 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.625 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.3 mtm . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.26 -15.76 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.657 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.93 -36.21 78.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.07 -28.35 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.36 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.69 -37.59 85.05 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.686 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -63.39 -46.24 87.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.794 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -63.0 -40.63 98.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 74.7 m -60.79 -44.59 96.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.3 -41.99 93.54 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.969 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -63.78 -33.34 75.46 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.29 88.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.862 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.2 mt -63.66 -43.74 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.753 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.08 -42.67 96.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.112 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.3 71.34 0.32 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.696 -0.802 . . . . 0.0 112.755 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.163 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -68.67 -32.01 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.579 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.54 -6.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -101.13 -16.68 16.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.703 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 0.0 OUTLIER -57.76 -42.93 98.02 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.577 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' B' ' 20' ' ' MET . 22.7 Cg_exo -58.6 152.36 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.13 1.887 . . . . 0.0 112.211 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.73 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.44 16.78 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.151 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.26 -42.87 74.06 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.6 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -51.03 -40.43 58.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.826 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.53 -42.93 70.57 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.89 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.82 -46.69 89.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.903 0.382 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.68 -39.45 88.13 Favored 'General case' 0 CA--C 1.493 -1.227 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.97 -37.95 75.14 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.649 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -64.79 -43.02 94.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.71 -45.65 81.96 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.072 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.91 -44.36 92.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.723 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.12 -46.76 85.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.967 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.94 -43.99 90.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 37.8 mt -64.08 -39.2 93.55 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.987 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.22 -42.52 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.0 -41.15 95.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 26.8 mt -64.39 -43.43 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.933 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.43 -41.05 98.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.892 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -43.13 99.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 mt -63.84 -40.98 97.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.54 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.2 -44.15 99.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.51 -37.98 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.831 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.27 -42.52 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.16 -42.27 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 CA-C-O 121.529 0.68 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.15 -44.29 95.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.593 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.23 -43.35 95.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.758 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.75 -39.32 76.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.255 0.55 . . . . 0.0 109.627 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.217 -0.61 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.613 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 77.3 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -70.2 -16.04 63.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.241 0.543 . . . . 0.0 109.802 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.79 -36.4 78.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -58.86 -28.26 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.377 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -66.8 -37.33 84.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.798 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -63.63 -46.25 86.55 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.242 0.544 . . . . 0.0 109.717 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.405 ' N ' HD11 ' C' ' 7' ' ' LEU . 8.2 mp -63.13 -40.16 96.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 74.2 m -61.18 -44.33 97.47 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.5 -41.87 92.74 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -63.89 -33.36 75.52 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.06 87.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.891 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 9.4 mt -63.87 -43.53 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.882 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.85 -39.82 91.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -64.17 -42.53 96.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.999 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.48 70.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.747 -0.781 . . . . 0.0 112.894 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.87 -64.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.147 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -68.73 -31.93 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 pt -77.49 -6.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -101.25 -16.52 16.95 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.731 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' MET . . . . . 0.465 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 0.0 OUTLIER -57.72 -43.09 98.5 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.52 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' C' ' 20' ' ' MET . 23.0 Cg_exo -58.31 152.37 53.93 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.141 1.894 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.89 -40.68 91.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -85.38 17.11 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.137 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.46 -42.47 74.35 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -51.29 -40.65 59.42 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.83 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -70.48 -42.57 71.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.921 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.8 -46.85 88.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.183 0.516 . . . . 0.0 111.518 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.81 -39.51 87.74 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.87 -37.81 74.6 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.658 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -65.1 -43.07 93.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.58 -45.64 82.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.47 -47.43 86.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.289 -0.564 . . . . 0.0 109.998 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.83 -44.23 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.729 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.07 -46.72 86.14 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.85 -43.87 91.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.164 0.507 . . . . 0.0 110.545 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.19 -39.26 93.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.15 -42.57 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.93 -41.34 96.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 26.9 mt -64.38 -43.24 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.798 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.53 -44.79 96.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.09 -40.89 98.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.956 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.46 -43.1 99.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.94 -40.83 97.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.521 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.38 -44.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.8 -37.74 87.9 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.785 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.39 -42.39 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.23 -42.3 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 121.534 0.683 . . . . 0.0 109.524 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.17 -44.08 95.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 34.2 mtt -64.45 -43.43 94.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.69 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.51 -39.87 77.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.659 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.481 -179.659 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -70.07 -16.21 63.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.701 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -36.39 78.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 m -58.94 -27.91 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.442 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -66.98 -37.44 84.23 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.853 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -63.39 -46.38 86.71 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.772 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.415 HD11 ' N ' ' D' ' 7' ' ' LEU . 8.2 mp -63.04 -40.33 97.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.19 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 75.4 m -60.98 -44.28 97.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -65.55 -41.9 92.49 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.864 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.9 p -63.88 -33.54 75.92 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.568 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.19 88.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 9.4 mt -63.83 -43.92 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.731 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.41 -40.14 93.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.977 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.84 -42.82 97.53 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.134 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.24 70.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.835 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.69 -64.1 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -68.94 -31.83 71.0 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.63 -6.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.994 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -101.46 -16.15 16.93 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.716 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 0.0 OUTLIER -58.09 -43.04 98.05 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 114.724 -1.126 . . . . 0.0 112.353 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' D' ' 20' ' ' MET . 22.7 Cg_exo -58.42 152.19 56.0 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.15 1.9 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.69 -40.67 92.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.901 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -85.55 16.94 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.027 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.48 73.78 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.654 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -51.3 -40.47 59.07 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.9 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.73 -42.51 70.44 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.981 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.87 -46.66 89.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 111.492 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.07 -39.54 86.86 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.67 -37.74 73.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.631 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.07 -43.22 92.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.43 -45.64 83.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.54 -47.32 86.71 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.82 -44.41 92.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.94 -46.77 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.57 -41.69 99.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.962 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 m -64.75 -43.82 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.64 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 36.9 mt -64.29 -39.29 93.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.917 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.22 -42.45 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.01 -41.29 96.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.34 -43.34 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.804 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.15 -40.96 99.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.953 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.44 -42.98 99.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 62.4 mt -64.0 -40.93 97.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.515 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.25 -44.01 99.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.612 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.83 -37.67 87.69 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.704 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.59 -42.37 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.13 -42.23 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.487 0.66 . . . . 0.0 109.544 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.19 -44.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.672 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 35.4 mtt -64.18 -43.43 95.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.779 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.73 -39.68 76.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.48 -179.752 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -70.18 -15.82 62.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.0 -36.25 79.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.924 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -58.91 -28.34 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.409 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.47 -37.65 85.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 120.136 -0.626 . . . . 0.0 109.865 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -63.35 -46.41 86.73 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.237 0.541 . . . . 0.0 109.727 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.02 -40.45 97.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.155 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -60.95 -44.52 97.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -65.39 -41.79 93.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.4 p -64.02 -33.27 75.36 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.692 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.25 88.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.832 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 9.3 mt -63.91 -43.72 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.765 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.64 -39.98 92.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -63.89 -42.69 97.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.347 -0.842 . . . . 0.0 113.114 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.36 71.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.799 -0.76 . . . . 0.0 112.858 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.98 -64.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.292 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -69.18 -31.78 70.64 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.62 -6.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.025 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -101.2 -16.49 16.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.72 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' MET . . . . . 0.475 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 0.0 OUTLIER -57.98 -42.83 97.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.349 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' E' ' 20' ' ' MET . 22.7 Cg_exo -58.62 152.47 55.59 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.125 1.883 . . . . 0.0 112.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.91 -40.47 91.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.914 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.67 16.66 3.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.199 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.02 -42.94 73.23 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.705 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -51.07 -40.54 58.6 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.822 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.41 -42.7 71.3 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.067 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.74 -46.86 88.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.969 0.414 . . . . 0.0 111.413 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.71 -39.62 88.1 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -57.85 -38.05 74.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.915 -1.493 . . . . 0.0 108.551 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.71 -43.14 94.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.894 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.56 -45.88 81.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.42 -47.26 86.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.04 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -65.84 -44.33 92.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.794 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.05 -46.62 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.767 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.75 -41.44 99.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.85 -44.05 91.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -64.21 -39.05 93.18 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.954 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.29 -42.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.83 -41.27 95.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 26.7 mt -64.49 -43.3 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.944 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -61.35 -44.63 96.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.3 -41.18 98.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.91 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.24 -42.94 99.49 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 mt -64.11 -41.02 97.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.418 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.11 -44.12 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.74 -37.78 87.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.819 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.3 -42.37 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.144 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -64.38 -42.08 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-O 121.468 0.652 . . . . 0.0 109.435 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -43.96 94.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.664 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 34.7 mtt -64.38 -43.57 94.07 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.669 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.57 -39.51 77.33 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 109.695 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.557 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -6.0 59.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.619 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.452 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 99.1 mttt -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.858 0.837 . . . . 0.0 110.206 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.92 -26.86 41.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.756 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -35.25 80.34 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.455 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 14.1 m-85 -68.03 -43.14 79.44 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.44 -44.77 95.61 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -59.44 -42.26 91.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.768 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.09 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -63.41 -33.77 76.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.88 90.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.936 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.55 -43.22 89.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -65.12 -39.63 93.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.605 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -61.75 -42.3 98.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.51 -30.98 59.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.782 0.801 . . . . 0.0 109.127 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.17 -23.47 25.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.986 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -118.13 20.94 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.869 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.65 107.82 0.47 Allowed Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 124.249 0.968 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.22 -161.39 0.14 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.843 2.362 . . . . 0.0 112.189 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -77.61 64.22 2.87 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.9 0.381 . . . . 0.0 110.593 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.98 -39.25 93.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.64 163.79 1.53 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.388 -1.278 . . . . 0.0 107.561 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -57.14 -32.35 66.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.343 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.58 -41.42 96.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -63.04 -46.68 86.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.324 0.583 . . . . 0.0 109.735 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 21.7 mt -64.26 -41.98 96.69 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 108.767 -0.827 . . . . 2.19 108.767 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -57.64 -41.61 81.75 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 113.644 -1.616 . . . . 2.23 108.006 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.37 -42.98 99.84 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.066 -0.97 . . . . 2.36 110.255 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.27 -45.08 81.73 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.244 -0.582 . . . . 2.34 111.22 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.83 -43.93 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.415 -0.514 . . . . 2.48 111.243 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.56 -44.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.189 -0.46 . . . . 2.37 111.359 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -63.0 -48.17 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.193 -0.603 . . . . 2.33 110.224 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.89 -42.4 99.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.957 -0.297 . . . . 2.39 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.29 -0.564 . . . . 2.32 109.92 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.31 -39.23 93.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.542 -0.754 . . . . 2.19 109.604 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.31 -44.83 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.539 -0.911 . . . . 2.22 108.539 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.47 -42.41 96.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.652 -0.419 . . . . 2.31 110.369 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 ' CD1' ' SG ' ' E' ' 41' ' ' CYS . 35.8 mm -63.49 -42.61 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.298 -0.631 . . . . 2.3 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' SG ' ' CD1' ' B' ' 40' ' ' ILE . 83.1 m -59.26 -45.13 92.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.918 -0.771 . . . . 2.35 108.918 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.05 -43.09 99.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.289 -0.414 . . . . 2.23 110.493 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.0 -43.26 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.696 -0.402 . . . . 2.25 110.547 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.05 -40.02 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.506 -0.478 . . . . 2.41 109.837 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.05 -43.58 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 108.996 -0.742 . . . . 2.38 108.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.4 m -63.36 -34.9 78.72 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 115.859 -0.61 . . . . 2.33 110.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -39.47 84.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.478 0.656 . . . . 2.28 110.2 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.909 -1.041 . . . . 2.24 109.646 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.98 -48.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.054 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.4 mmm -62.35 -47.78 82.71 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.129 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.35 -39.24 78.24 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.273 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.221 -0.429 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.619 -179.73 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -5.52 59.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.455 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 99.0 mttt -65.57 -42.69 91.49 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.716 0.77 . . . . 0.0 110.12 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.98 -26.56 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.933 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -35.68 81.54 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 13.9 m-85 -67.52 -43.54 80.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.94 -42.59 99.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.317 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 82.5 m -61.54 -41.7 97.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.86 -43.08 99.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.95 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -63.25 -33.7 76.06 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.387 0.613 . . . . 0.0 109.438 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.12 87.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.873 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.2 mt -64.53 -41.65 92.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.018 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -58.74 -43.12 90.17 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -65.16 -39.49 93.04 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.711 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.34 73.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.4 t -61.42 -42.39 98.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.38 -30.99 60.33 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.845 0.831 . . . . 0.0 109.228 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -23.85 25.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.249 -1.342 . . . . 0.0 109.954 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.8 20.96 13.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.981 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.64 107.8 0.46 Allowed Pre-proline 0 N--CA 1.468 0.44 0 O-C-N 124.391 1.057 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.27 -161.63 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 122.911 2.407 . . . . 0.0 112.083 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -77.5 64.02 2.75 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 110.652 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.74 -39.08 93.04 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.77 163.95 1.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -57.48 -32.14 66.68 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.361 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.16 -41.79 97.0 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.39 -44.62 94.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.339 0.59 . . . . 0.0 110.49 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -65.97 -42.27 90.12 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.06 -38.43 76.3 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.673 -1.603 . . . . 0.0 108.75 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.52 -44.09 91.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.478 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.75 -43.76 87.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -61.11 -47.52 85.88 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.386 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.75 -44.52 93.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.67 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.57 -47.48 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -63.22 -42.28 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 m -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.324 -0.551 . . . . 0.0 109.628 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 mt -62.56 -39.58 94.1 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.884 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.2 -43.44 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.62 -42.19 98.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.053 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.435 ' CD1' ' SG ' ' A' ' 41' ' ' CYS . 36.1 mm -63.83 -42.91 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.44 ' SG ' ' CD1' ' C' ' 40' ' ' ILE . 80.2 m -59.76 -43.77 94.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.405 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.81 -40.87 97.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.4 -43.51 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -63.33 -35.5 80.58 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.898 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.44 -42.19 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.78 -42.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.82 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.53 -46.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.37 -48.07 79.46 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.795 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.6 -39.52 77.21 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.345 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.599 -179.681 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -5.92 59.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.659 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 99.0 mttt -65.42 -42.66 92.24 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.547 0.689 . . . . 0.0 110.233 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.01 -26.51 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.77 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -35.62 81.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 120.086 -0.645 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 13.8 m-85 -67.84 -43.26 79.93 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.91 -42.73 99.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.228 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 81.0 m -61.51 -41.7 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.77 -42.87 99.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.016 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -63.48 -33.82 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.398 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.03 87.68 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.825 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 24.0 mt -64.63 -41.75 93.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.936 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.5 -43.07 88.93 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.23 -39.62 92.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.6 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.47 -36.39 73.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.737 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -61.47 -42.21 98.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.435 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.32 -31.73 60.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.601 0.715 . . . . 0.0 109.071 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.39 -24.09 27.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.153 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -117.55 20.98 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.989 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.66 107.71 0.46 Allowed Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 124.268 0.98 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.27 -161.6 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.827 2.351 . . . . 0.0 112.042 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.42 63.92 2.68 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.682 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.7 -39.15 93.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.6 163.82 1.55 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -57.27 -32.12 66.29 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.443 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -64.43 -41.58 96.5 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.442 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -63.57 -44.47 93.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.319 0.581 . . . . 0.0 110.427 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.0 -42.12 90.17 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.21 -38.68 77.27 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.595 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.19 -44.41 92.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.46 -43.7 89.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.908 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.29 -47.53 85.57 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.244 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.78 -44.4 93.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.712 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.65 -47.26 82.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.408 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.53 -42.14 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.077 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 m -62.73 -43.88 97.67 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.623 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.52 -39.49 93.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.895 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.3 -43.46 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.77 -41.96 98.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.064 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.44 ' CD1' ' SG ' ' B' ' 41' ' ' CYS . 36.4 mm -63.94 -42.67 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' D' ' 40' ' ' ILE . 80.7 m -59.87 -43.83 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.82 -41.62 99.39 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.541 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.84 -43.16 99.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.73 -40.87 97.81 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.5 -43.45 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.41 -35.4 80.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.856 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.45 -42.11 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.9 -42.55 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.9 t -68.48 -46.02 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.904 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 81.9 mmm -63.54 -48.19 78.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.742 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.72 -39.34 76.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.327 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.583 -179.759 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -5.92 59.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.6 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 99.1 mttt -65.44 -42.56 92.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.684 0.754 . . . . 0.0 110.322 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.04 -26.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.681 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -35.49 81.02 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.457 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 14.0 m-85 -68.02 -42.96 79.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.07 -42.63 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.279 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m -61.64 -41.55 97.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.92 -43.08 99.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.026 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -63.23 -33.66 75.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.525 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.11 87.61 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mt -64.58 -41.77 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.915 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -58.42 -43.3 88.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.11 -39.32 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.624 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.38 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.43 -42.41 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.51 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.35 -31.43 60.55 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -23.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.104 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -117.72 21.08 13.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.61 107.94 0.47 Allowed Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 124.281 0.988 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.26 -161.28 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.728 2.285 . . . . 0.0 112.236 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -77.84 64.06 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.665 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.75 -39.22 93.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.56 163.88 1.57 Allowed 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -57.39 -31.93 66.31 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.489 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.52 -41.66 96.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -63.42 -44.39 94.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.284 0.564 . . . . 0.0 110.501 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.07 -42.35 89.55 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.2 -38.29 76.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.701 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.3 -44.35 91.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.493 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.55 -43.83 88.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.734 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.25 -47.53 85.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.369 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.2 mt -65.66 -44.52 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.66 -47.4 81.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.47 -42.05 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.08 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 13.4 m -62.58 -44.13 97.09 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.546 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.49 -39.28 92.95 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.822 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.47 -43.57 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.972 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.446 ' CD1' ' SG ' ' C' ' 41' ' ' CYS . 36.1 mm -63.87 -42.86 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' E' ' 40' ' ' ILE . 83.0 m -59.72 -44.24 93.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.54 -41.63 99.01 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.74 -43.38 98.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.83 -40.84 97.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.41 -43.42 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.48 -35.45 80.5 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.925 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.31 -42.24 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.682 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.31 -46.22 81.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.963 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 81.6 mmm -63.46 -48.2 78.68 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.658 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.65 -39.2 77.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.387 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.218 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -179.747 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.93 -5.94 59.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.64 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 99.1 mttt -65.49 -42.59 92.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.579 0.704 . . . . 0.0 110.262 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.04 -26.55 40.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.688 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -35.66 81.58 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.382 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.459 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 14.0 m-85 -67.74 -43.4 80.04 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.03 -42.58 99.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 82.3 m -61.6 -41.58 97.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.72 -42.92 99.89 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.083 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -63.7 -33.6 75.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.92 86.87 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mt -64.7 -41.68 92.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.946 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -58.62 -43.1 89.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.16 -39.16 92.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.675 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.26 74.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -61.59 -42.22 98.55 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 123.52 0.512 . . . . 0.0 110.611 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.4 -31.16 60.34 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.614 0.721 . . . . 0.0 109.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -23.85 25.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.101 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.86 21.01 13.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.776 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.69 107.78 0.47 Allowed Pre-proline 0 N--CA 1.466 0.361 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.24 -161.82 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.987 2.458 . . . . 0.0 112.17 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -77.24 64.06 2.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.883 0.373 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.93 -39.08 92.96 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -178.73 163.93 1.51 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -57.44 -32.07 66.55 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.4 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.42 -41.74 96.44 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -63.45 -44.19 95.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.474 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.35 -42.14 88.53 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.15 -38.66 77.02 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.561 -1.654 . . . . 0.0 108.623 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.22 -44.32 92.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.618 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.49 -43.89 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.665 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -60.98 -47.61 85.65 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.411 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.68 -44.56 93.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.747 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.55 -47.49 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.327 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -63.44 -41.9 98.66 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.184 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 12.6 m -62.85 -43.86 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.4 -39.72 94.18 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.776 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.07 -43.46 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.63 -42.28 98.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.985 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.443 ' CD1' ' SG ' ' D' ' 41' ' ' CYS . 36.9 mm -63.8 -42.75 96.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 40' ' ' ILE . 79.6 m -59.73 -44.0 93.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.71 -41.62 99.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.469 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.87 -43.13 99.61 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.426 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 80.5 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.36 -43.25 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.68 -35.39 80.38 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.944 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.45 -42.34 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.7 -42.59 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.645 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.59 -46.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.893 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 81.4 mmm -63.62 -48.07 78.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.582 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.56 -39.45 77.39 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.475 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.22 -0.487 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.682 -179.774 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.47 -51.82 5.51 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.51 -42.36 87.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.464 0.649 . . . . 0.0 110.67 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m -61.47 -26.27 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.242 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -64.46 -39.84 94.57 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.051 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 73.4 m-85 -64.54 -40.4 95.52 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.909 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -63.35 -41.43 98.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.7 m -61.88 -42.95 99.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -63.07 -38.12 89.93 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.391 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -62.37 -30.32 71.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.21 -39.97 82.27 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.26 -42.64 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.876 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -60.09 -44.51 94.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.935 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.31 -42.48 88.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.659 0.742 . . . . 0.0 109.099 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -30.44 70.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.784 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.52 -37.22 86.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.555 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.98 -40.84 62.69 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.94 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.1 pt -74.99 -12.88 15.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.406 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.7 -7.92 15.51 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.75 128.31 92.64 Favored Pre-proline 0 C--O 1.234 0.281 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.782 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' A' ' 23' ' ' GLN . 74.9 Cg_endo -77.24 -154.83 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.446 2.097 . . . . 0.0 111.384 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -74.15 23.18 0.08 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.353 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 21' ' ' PRO . 58.9 tt0 -59.35 -36.91 76.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.67 123.31 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -55.42 -31.53 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.868 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -61.1 -41.57 96.92 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.494 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.22 -44.72 91.03 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.56 -43.69 98.4 Favored 'General case' 0 CA--C 1.497 -1.059 0 N-CA-C 108.552 -0.907 . . . . 1.96 108.552 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.416 HE22 ' NE2' ' E' ' 29' ' ' GLN . 56.5 tt0 -58.76 -39.46 81.04 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 113.501 -1.681 . . . . 2.15 109.07 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -64.35 -40.98 96.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.791 -1.095 . . . . 2.61 110.415 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.91 -48.1 59.88 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 120.204 -0.598 . . . . 2.44 111.367 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -59.39 -42.48 91.82 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.607 -0.437 . . . . 2.51 111.912 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -70.1 -44.73 77.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.738 -0.665 . . . . 2.33 110.793 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.41 -46.57 87.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.064 -0.654 . . . . 2.19 110.215 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.25 -43.26 99.24 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.908 -0.317 . . . . 2.46 110.209 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.68 -39.98 95.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.038 0.446 . . . . 2.53 110.193 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.12 -37.97 87.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.228 -0.896 . . . . 2.09 109.886 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.34 -44.81 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 N-CA-C 108.588 -0.893 . . . . 2.03 108.588 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.23 -41.55 84.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.383 -0.599 . . . . 2.41 109.383 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.58 -43.56 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.919 -0.4 . . . . 2.34 109.919 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.7 m -61.12 -46.48 90.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.002 -0.74 . . . . 2.33 109.002 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.94 -42.42 98.16 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.558 -0.534 . . . . 2.3 109.558 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.71 -42.17 96.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.255 -0.646 . . . . 2.2 109.255 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.85 -40.6 96.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.888 -0.412 . . . . 2.38 109.888 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.74 -43.74 96.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.306 0.574 . . . . 2.53 109.569 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -65.36 -34.55 78.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.496 -0.775 . . . . 2.34 110.124 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.39 -40.89 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 2.34 109.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.74 -40.19 87.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 114.956 -1.02 . . . . 2.42 108.946 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.55 -44.05 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.1 mmm -65.33 -40.55 93.83 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.46 -41.18 96.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.775 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.94 -51.56 5.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.84 -42.44 85.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.528 0.68 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.51 -26.18 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.194 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 1.0 OUTLIER -64.54 -39.62 94.1 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.755 -0.778 . . . . 0.0 108.984 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.406 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 74.3 m-85 -64.58 -40.67 95.95 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.952 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.407 HD11 ' N ' ' B' ' 7' ' ' LEU . 7.9 mp -63.06 -41.15 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.87 -38.45 90.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.369 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -61.92 -30.76 71.11 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.22 83.89 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -42.87 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.98 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -59.84 -44.47 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.942 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -66.0 -43.16 88.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.675 0.75 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.41 -30.37 70.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.77 -37.26 87.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.38 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -40.92 63.24 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.036 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 40.2 pt -75.2 -12.46 14.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.22 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.99 -7.95 15.29 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.185 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.6 127.9 91.99 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.847 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' B' ' 23' ' ' GLN . 71.5 Cg_endo -76.93 -154.89 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.645 2.23 . . . . 0.0 111.152 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -74.16 23.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.458 ' H ' ' C ' ' B' ' 21' ' ' PRO . 58.8 tt0 -58.59 -37.41 75.75 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.76 125.77 15.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.476 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 -58.31 -31.03 67.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.968 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.89 -42.5 93.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.338 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.13 -43.47 95.16 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 122.356 1.074 . . . . 0.0 108.276 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.412 ' NE2' HE22 ' C' ' 29' ' ' GLN . 56.2 tt0 -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.039 -1.891 . . . . 0.0 109.265 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -63.95 -44.81 91.68 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.799 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.19 -45.42 76.99 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.91 -47.07 88.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.292 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.36 -44.3 90.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.705 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -63.25 -46.28 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.423 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 m -64.13 -41.88 97.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.047 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.33 -38.58 91.56 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.978 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.37 -43.14 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.98 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mt -63.87 -43.58 97.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.307 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.22 -41.34 99.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.2 -42.08 98.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.279 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.62 -41.04 98.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.015 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.26 -44.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.81 -34.3 78.03 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.043 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.06 -41.82 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.82 -44.5 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.69 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.3 mmm -64.16 -41.81 97.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.394 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.5 -41.03 96.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.14 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.56 -51.65 5.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.573 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.73 -42.58 86.04 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.631 0.729 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.31 -26.26 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.252 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 1.0 OUTLIER -64.39 -39.38 93.76 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.149 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' C' ' 5' ' ' GLN . 73.4 m-85 -64.8 -40.79 95.79 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.41 HD11 ' N ' ' C' ' 7' ' ' LEU . 7.9 mp -62.99 -41.18 99.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.27 -42.93 99.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.06 -38.33 90.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.364 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -61.97 -30.61 71.04 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -40.52 83.27 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.77 -42.69 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.962 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -60.04 -44.63 94.52 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -65.95 -43.1 88.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.675 0.75 . . . . 0.0 109.116 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.53 -30.17 70.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.75 -37.34 87.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.347 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -40.79 63.33 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.013 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 41.2 pt -75.16 -12.78 15.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.37 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.57 -8.0 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.276 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.76 128.17 92.47 Favored Pre-proline 0 N--CA 1.455 -0.199 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.825 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . 0.475 ' C ' ' H ' ' C' ' 23' ' ' GLN . 73.1 Cg_endo -76.99 -154.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.741 2.294 . . . . 0.0 111.36 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -74.19 23.25 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.359 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' C' ' 21' ' ' PRO . 58.5 tt0 -58.68 -37.63 76.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.127 0.489 . . . . 0.0 109.696 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.35 125.91 15.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.398 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -58.57 -30.76 67.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.12 -42.35 94.6 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.365 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.62 -41.08 96.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.23 -43.78 93.88 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.424 ' NE2' HE22 ' D' ' 29' ' ' GLN . 56.1 tt0 -59.31 -38.27 79.86 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.184 -1.826 . . . . 0.0 109.316 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -64.05 -44.67 91.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.21 -45.16 77.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.279 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.86 -47.48 86.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.376 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 84.5 mt -66.29 -44.32 91.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.79 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.06 -46.28 88.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.33 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.17 -42.8 99.61 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.992 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 9.0 m -64.09 -41.79 97.16 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.998 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.31 -38.29 90.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.02 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.55 -43.01 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.19 -40.8 91.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.91 -43.66 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.116 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 92.2 m -62.04 -43.49 98.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.09 -41.98 98.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.174 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.64 -41.16 98.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.21 -44.24 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -64.88 -34.38 78.26 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.963 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.04 -43.39 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.24 -41.53 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.84 -44.47 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.597 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmm -64.31 -41.37 96.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.6 -40.71 96.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.216 -0.667 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.983 179.848 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.67 -51.69 5.54 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.516 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.6 -42.53 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.5 0.667 . . . . 0.0 110.711 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.34 -26.36 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.168 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 1.0 OUTLIER -64.45 -39.25 93.46 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.145 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.401 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 73.5 m-85 -64.77 -40.72 95.75 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.409 HD11 ' N ' ' D' ' 7' ' ' LEU . 7.8 mp -63.1 -41.36 99.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -62.16 -43.06 99.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.94 -38.39 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.467 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -62.0 -30.77 71.18 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.456 0.646 . . . . 0.0 109.275 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.81 -40.32 83.88 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.95 -42.96 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.984 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -59.71 -44.51 93.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.01 -43.01 88.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.099 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.23 70.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.54 -37.61 88.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.44 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -40.97 63.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.095 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 pt -74.86 -12.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.231 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.7 -7.74 15.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.354 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 128.35 92.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.94 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' D' ' 23' ' ' GLN . 71.7 Cg_endo -77.12 -154.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.525 2.15 . . . . 0.0 111.426 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -74.37 23.64 0.09 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' D' ' 21' ' ' PRO . 58.7 tt0 -59.11 -37.43 77.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.57 125.91 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.527 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -58.46 -31.19 67.57 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.86 -42.53 93.87 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -64.61 -40.65 95.88 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.599 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 24.1 mt -64.4 -43.89 93.01 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . 0.424 HE22 ' NE2' ' C' ' 29' ' ' GLN . 56.3 tt0 -59.13 -38.26 79.2 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.085 -1.871 . . . . 0.0 109.264 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.14 -44.76 91.17 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.637 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.33 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.76 -47.5 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.281 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 85.4 mt -65.98 -44.4 92.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.834 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.04 -46.34 88.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.33 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.2 -41.85 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.3 -38.4 90.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.077 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.52 -42.99 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.79 -43.61 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.183 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.94 -43.61 98.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.32 -41.59 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.238 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.66 -41.1 98.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.902 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.29 -44.52 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.34 -34.63 78.59 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.238 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -63.82 -43.69 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.77 -41.74 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.74 -44.4 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.674 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 38.7 mmm -64.45 -41.41 96.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.57 -40.84 96.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.938 179.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.85 -51.56 5.57 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.64 -42.55 86.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.482 0.658 . . . . 0.0 110.644 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.48 -26.19 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.191 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 1.0 OUTLIER -64.49 -39.41 93.75 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.403 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 74.0 m-85 -64.83 -40.47 95.24 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.9 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.407 HD11 ' N ' ' E' ' 7' ' ' LEU . 7.9 mp -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 20.0 m -62.0 -43.28 99.17 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -62.62 -38.51 90.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.511 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -61.77 -30.8 71.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.73 -40.64 84.16 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mm -66.87 -42.69 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.986 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -59.85 -44.67 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.843 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -65.92 -42.88 89.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.656 0.741 . . . . 0.0 109.236 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.24 70.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.55 -37.24 86.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.4 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -40.99 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.97 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 40.1 pt -75.07 -12.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.353 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.9 -8.49 15.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.304 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.16 127.94 91.65 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 119.964 -0.695 . . . . 0.0 109.947 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . 0.472 ' C ' ' H ' ' E' ' 23' ' ' GLN . 71.5 Cg_endo -77.09 -154.83 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.602 2.201 . . . . 0.0 111.187 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -74.36 23.58 0.09 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . 0.472 ' H ' ' C ' ' E' ' 21' ' ' PRO . 58.9 tt0 -59.01 -37.52 77.1 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.54 125.8 15.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.525 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -58.45 -30.84 67.25 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.026 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.04 -42.39 94.34 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.309 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.76 -40.87 96.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.14 0.495 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 mt -64.25 -43.74 93.95 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . 0.416 ' NE2' HE22 ' A' ' 29' ' ' GLN . 56.1 tt0 -59.23 -38.24 79.5 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.2 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.0 -44.84 91.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.877 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.15 -45.23 77.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.33 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.12 -47.03 88.14 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.383 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.44 -44.43 90.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.687 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.33 -46.01 88.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.418 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -62.16 -42.79 99.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 m -64.18 -41.95 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.983 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 32.8 mt -64.19 -38.44 91.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.069 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.43 -42.9 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.9 -40.85 90.18 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 26.0 mt -63.99 -43.68 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.243 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.0 -43.73 98.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.897 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.26 -41.4 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.98 -42.13 98.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.293 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.08 -44.49 97.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.72 -34.24 77.86 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.092 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.14 -43.26 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.18 -41.75 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.066 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.96 -44.28 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.576 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 37.6 mmm -64.57 -41.32 96.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.53 -41.05 96.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.217 -0.642 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.045 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.401 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 98.8 mttt -110.88 -25.1 10.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.754 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.18 -24.84 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.35 -39.62 93.71 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.904 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 26.4 m-85 -67.83 -40.8 83.71 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.7 mp -61.92 -40.32 95.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.9 m -60.37 -48.39 81.96 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -58.69 -39.19 79.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.061 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -60.5 -34.13 73.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.33 89.72 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.07 -42.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -63.54 -40.15 96.27 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.744 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -59.18 -46.24 88.93 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.98 72.79 0.09 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.652 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -157.21 -27.15 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.502 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 t -128.46 -14.99 4.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.694 0.283 . . . . 0.0 111.35 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 pt -83.81 4.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.942 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.27 10.27 39.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.732 0.301 . . . . 0.0 110.771 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.82 152.43 58.79 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -75.5 21.03 0.48 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.737 2.291 . . . . 0.0 112.755 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.58 -135.12 0.35 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -73.27 0.49 11.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.04 0.448 . . . . 0.0 110.052 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.53 -28.97 67.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.699 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -55.25 -35.67 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 109.379 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -64.92 -36.4 84.24 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.733 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.13 -44.0 93.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.44 -43.48 93.12 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-O 121.969 0.89 . . . . 1.88 108.874 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -60.44 -38.51 84.38 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.451 -1.704 . . . . 2.56 108.612 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.2 -42.13 93.86 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.822 -1.081 . . . . 2.36 110.64 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -49.34 70.59 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.838 -0.745 . . . . 2.3 111.893 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 7.4 t80 -57.8 -52.32 65.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.549 -0.86 . . . . 2.67 109.704 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.93 -45.51 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.574 -0.45 . . . . 2.26 111.49 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -59.02 -52.15 66.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.041 -0.664 . . . . 2.27 109.827 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -57.52 -43.69 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.776 -0.369 . . . . 2.65 110.919 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.448 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 95.1 m -66.29 -36.51 83.14 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.291 -0.563 . . . . 2.12 111.175 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 2.04 109.397 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.81 -43.79 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 N-CA-C 109.166 -0.679 . . . . 2.5 109.166 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.74 -41.74 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.531 -0.304 . . . . 2.35 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.13 -42.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.227 -0.657 . . . . 2.24 109.227 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.13 -43.02 99.52 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.774 -0.824 . . . . 2.31 108.774 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.85 -42.1 99.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.914 -0.402 . . . . 2.18 109.914 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.34 -43.17 92.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.146 -0.687 . . . . 2.36 109.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.21 -38.83 92.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 2.42 109.663 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.97 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.271 -0.64 . . . . 2.24 109.271 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.99 -38.68 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.401 -0.592 . . . . 2.31 109.401 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.71 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.736 -0.665 . . . . 2.38 109.563 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.54 -44.12 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 115.554 -0.748 . . . . 2.53 109.163 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.9 -44.49 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.547 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mtt -63.9 -39.01 93.19 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.351 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.09 -38.89 92.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.904 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.24 -27.33 67.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.438 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 98.8 mttt -111.26 -23.6 10.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.842 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.43 -24.97 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.08 -39.61 93.03 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.925 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.438 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 26.8 m-85 -67.93 -40.53 83.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.368 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.12 -40.12 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -61.52 -44.59 96.78 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.73 -39.57 92.01 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.523 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m -60.36 -34.38 73.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.734 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.07 89.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 31.6 mm -63.1 -42.57 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -64.46 -37.25 86.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -61.43 -45.9 92.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.78 73.69 0.08 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.339 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -158.05 -27.58 0.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.342 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -128.09 -15.17 4.8 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 pt -83.6 4.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.11 10.15 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.763 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.62 152.31 57.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.647 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -75.41 20.9 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.795 2.33 . . . . 0.0 112.661 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.52 -135.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -73.44 0.68 11.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 110.035 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.5 -26.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.076 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.32 -39.81 95.59 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.209 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.79 -39.34 93.93 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.14 -43.44 98.36 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -60.47 -38.79 85.38 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 113.191 -1.822 . . . . 0.0 108.726 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.95 -43.02 94.05 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.5 -46.75 81.6 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.633 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.44 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 7.9 t80 -61.38 -48.98 78.8 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.331 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.37 -44.29 97.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.465 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.03 -48.55 81.27 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.396 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.388 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.44 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 96.1 m -65.95 -37.48 86.12 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.203 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.59 -41.99 95.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -64.02 -43.34 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.55 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.06 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.81 -41.77 98.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.212 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.65 -40.42 96.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.077 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.32 -42.95 99.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.58 -38.77 92.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.592 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -42.62 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.21 -38.63 87.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.39 -42.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 79.8 mt -63.8 -42.69 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.678 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.3 -44.45 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 43.6 mtt -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.07 -38.78 92.29 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.66 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.959 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.26 -27.24 67.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 98.8 mttt -111.43 -23.53 10.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.735 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.33 -25.0 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.14 -39.7 93.47 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.949 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 26.5 m-85 -67.7 -40.56 84.32 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.387 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.11 -40.13 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.3 m -61.54 -44.55 96.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.88 -39.31 91.48 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.621 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m -60.61 -34.24 73.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.741 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.07 89.28 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.404 HD11 HG21 ' C' ' 12' ' ' ILE . 31.4 mm -63.07 -42.54 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.283 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -64.48 -37.14 86.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.96 73.77 0.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.301 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -158.1 -27.64 0.08 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.3 t -128.02 -15.18 4.84 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.653 0.263 . . . . 0.0 111.357 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 20.6 pt -83.74 4.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.54 10.3 38.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.738 0.304 . . . . 0.0 110.815 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.76 152.37 58.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.28 20.79 0.47 Allowed 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.775 2.317 . . . . 0.0 112.716 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.42 -135.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -73.49 0.75 11.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.109 0.481 . . . . 0.0 109.964 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.91 67.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -57.1 -35.56 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.44 -39.76 95.34 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.144 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.29 -43.4 97.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -60.51 -38.58 84.82 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.182 -1.827 . . . . 0.0 108.786 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.07 -43.06 93.47 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.62 -46.71 81.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.61 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.441 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 7.9 t80 -61.29 -48.9 79.28 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.377 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.46 -44.32 96.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.482 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -61.08 -48.51 81.35 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.0 -43.6 98.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.361 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.441 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 95.5 m -65.73 -37.55 86.71 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.244 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 24.9 mt -60.6 -42.0 95.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.02 -43.41 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.615 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.09 -43.02 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.58 -41.89 98.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.159 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.59 -40.4 96.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.061 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.49 -42.87 99.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.657 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -42.63 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.15 -38.81 87.75 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.19 -42.81 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.359 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.86 -42.54 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.687 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.37 -44.44 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 43.3 mtt -63.93 -39.02 93.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.15 -38.96 92.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.921 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.3 -27.29 67.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 98.8 mttt -111.31 -23.65 10.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.81 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.24 -24.96 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.11 -39.8 93.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.93 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 26.7 m-85 -67.68 -40.47 84.41 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.361 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.21 -40.14 95.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -61.59 -44.6 96.7 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.85 -39.31 91.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.591 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -60.52 -34.27 73.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.715 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.0 88.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -63.14 -42.6 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -64.49 -37.15 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.261 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -61.41 -45.83 92.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.92 73.54 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.316 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -157.81 -27.73 0.08 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.335 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -127.91 -15.21 4.89 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.639 0.256 . . . . 0.0 111.294 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 20.6 pt -83.59 4.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.35 10.06 39.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.53 152.22 56.88 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.27 20.9 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.828 2.352 . . . . 0.0 112.697 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -112.46 -134.98 0.35 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -73.53 0.69 11.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.055 0.455 . . . . 0.0 110.021 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.33 -27.24 67.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -56.83 -35.8 69.23 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.28 -39.69 95.28 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.218 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.01 -39.24 94.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.15 -43.46 98.26 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.52 -38.77 85.49 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.127 -1.851 . . . . 0.0 108.666 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.04 -43.04 93.68 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.48 -46.75 81.7 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.616 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.445 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 7.8 t80 -61.3 -48.89 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.357 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.2 mt -64.51 -44.23 96.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -61.09 -48.52 81.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.409 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.06 -43.51 98.78 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.445 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 94.1 m -65.77 -37.57 86.68 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.63 -42.01 96.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.08 -43.32 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.09 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.53 -41.85 97.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.238 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.66 -40.39 96.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.083 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.4 -43.04 99.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.46 -38.85 92.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.685 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.99 -42.66 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.1 -38.75 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.4 -42.61 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.87 -42.61 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.694 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.3 -44.47 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.37 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.6 mtt -63.82 -39.19 93.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.247 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.15 -38.86 92.59 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.27 -27.52 67.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 98.8 mttt -111.06 -23.66 10.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -59.33 -24.98 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.06 -39.68 93.24 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.96 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 26.5 m-85 -67.74 -40.57 84.13 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.359 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.04 -40.19 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -61.61 -44.55 96.78 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.87 -39.4 91.8 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.523 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m -60.39 -34.28 73.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.709 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.04 88.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 31.3 mm -63.14 -42.42 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -64.48 -37.31 87.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -61.38 -46.01 91.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.82 73.64 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.292 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.3 t -157.87 -27.7 0.08 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.339 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -127.99 -15.03 4.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.604 0.24 . . . . 0.0 111.351 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 20.4 pt -83.7 4.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.17 10.27 39.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.79 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.7 152.43 57.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.582 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -75.45 21.05 0.48 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.843 2.362 . . . . 0.0 112.61 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.66 -135.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -73.39 0.51 12.0 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.096 0.474 . . . . 0.0 110.046 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.29 -27.08 67.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -56.99 -35.85 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.13 -39.73 95.55 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -62.9 -39.3 94.08 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.16 -43.49 98.15 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -60.39 -38.92 85.49 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 113.143 -1.844 . . . . 0.0 108.711 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.78 -43.27 93.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.493 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -46.82 81.79 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.669 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . 0.442 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 7.9 t80 -61.22 -48.92 79.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.328 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.51 -44.19 96.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.544 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -61.14 -48.42 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.388 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.13 -43.62 98.59 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.346 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.442 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 95.5 m -65.74 -37.57 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.62 -41.99 95.94 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.58 -42.25 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.04 -42.94 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 87.2 m -61.69 -41.91 98.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.209 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.57 -40.39 96.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.41 -42.84 99.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.6 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.621 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mm -62.95 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.25 -38.72 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.28 -42.83 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.314 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.77 -42.63 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.724 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.35 -44.34 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.363 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.5 mtt -63.87 -39.16 93.54 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.281 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.13 -38.74 92.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.984 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mtp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -77.97 -7.75 57.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 109.587 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.99 -37.35 82.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.618 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.1 m -57.52 -27.93 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.526 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.32 -37.26 84.97 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -63.35 -44.62 94.32 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD11 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -63.63 -41.03 98.3 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.861 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -59.49 -48.53 81.29 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -62.42 -39.52 93.57 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.008 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.5 t -59.41 -37.05 77.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.26 0.552 . . . . 0.0 110.044 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.12 88.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.14 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.0 mt -65.36 -42.34 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.097 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.0 -44.89 87.49 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -38.78 92.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.43 -12.76 59.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -80.09 -32.35 39.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.313 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.09 -34.98 69.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 pt -72.73 -8.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -129.27 5.21 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.405 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -60.16 -50.73 84.74 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.451 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 20' ' ' MET . 19.8 Cg_exo -62.85 146.14 94.88 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.333 2.022 . . . . 0.0 111.77 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -55.41 -43.14 75.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.24 64.29 8.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.36 -41.45 72.57 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.309 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -59.57 -40.31 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.35 0.523 . . . . 0.0 110.405 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -68.45 -32.93 73.28 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.699 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.45 -42.44 98.65 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.532 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.29 -41.93 89.08 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 108.301 -1.0 . . . . 2.22 108.301 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.54 -42.34 78.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.765 -1.561 . . . . 1.92 107.342 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -63.23 -43.38 98.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.532 -1.213 . . . . 2.55 110.944 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.71 -45.57 78.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.113 -0.635 . . . . 2.5 112.123 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.6 -45.24 94.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 2.48 111.889 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.95 -44.84 81.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.326 -0.55 . . . . 2.47 111.362 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -63.48 -46.14 87.55 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.06 -0.656 . . . . 2.24 110.457 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.81 -41.35 97.65 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.707 -0.397 . . . . 2.21 110.331 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.3 m -66.08 -39.0 89.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.012 -0.675 . . . . 2.5 110.303 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 mt -67.15 -39.62 86.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.708 -0.479 . . . . 2.4 109.708 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.86 -44.36 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 108.319 -0.993 . . . . 1.99 108.319 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.89 -41.09 77.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.636 . . . . 2.22 109.284 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 HG13 ' SG ' ' E' ' 41' ' ' CYS . 32.3 mt -63.1 -43.13 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.813 -0.81 . . . . 2.41 108.813 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.424 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.4 m -57.77 -47.75 81.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.163 -0.68 . . . . 2.29 109.163 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.02 -43.82 98.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.693 0.283 . . . . 2.26 110.257 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.82 -41.6 87.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 2.36 109.054 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.14 -39.0 93.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 2.21 109.477 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.38 -44.4 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.059 0 N-CA-C 109.097 -0.705 . . . . 2.36 109.097 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -57.43 -42.81 83.11 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.771 -0.649 . . . . 2.54 109.445 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -67.3 -39.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.499 -0.773 . . . . 2.11 110.692 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 22.5 mt -61.0 -46.46 96.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 N-CA-C 108.417 -0.957 . . . . 2.55 108.417 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.72 -42.86 93.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.338 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.0 mtt -65.49 -40.46 93.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.176 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.33 -29.04 63.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD13 ' SD ' ' B' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.444 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -78.31 -8.08 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.345 0.593 . . . . 0.0 109.681 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.27 -35.27 76.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.105 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m -59.24 -28.14 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.204 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.29 -37.18 84.84 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.265 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -63.4 -44.57 94.31 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.411 ' N ' HD11 ' B' ' 7' ' ' LEU . 7.8 mp -63.54 -41.13 98.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.953 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 81.4 m -60.19 -45.13 94.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -65.29 -39.59 92.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.351 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 38.6 t -59.5 -37.0 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 0.0 110.122 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.044 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.7 mt -65.32 -42.33 93.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.12 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.57 -44.56 89.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.41 -38.95 93.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.344 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -12.68 59.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -80.15 -32.47 38.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.259 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -35.08 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.7 -7.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.491 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -129.56 5.37 5.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.406 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 0.0 OUTLIER -60.39 -50.49 85.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.452 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 20' ' ' MET . 19.0 Cg_exo -62.94 146.39 94.82 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.314 2.009 . . . . 0.0 111.655 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -55.6 -43.06 75.7 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.75 64.96 8.86 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' B' ' 28' ' ' LEU . . . -55.82 -41.49 74.3 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.071 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -58.84 -41.07 86.04 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.927 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.2 -37.27 83.38 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.382 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.07 -42.61 94.94 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 24' ' ' ALA . 19.4 mt -65.78 -41.98 91.33 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.77 -39.19 76.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.888 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -65.36 -45.7 83.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.158 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -45.02 89.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.35 -49.26 77.67 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.127 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.69 -45.25 92.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.773 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.75 -45.18 91.04 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.3 -41.99 98.98 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.934 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 87.9 m -65.19 -40.64 94.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.304 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.62 -40.11 92.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 109.91 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.23 -41.77 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.33 -40.94 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.424 HG13 ' SG ' ' A' ' 41' ' ' CYS . 31.7 mt -62.86 -43.09 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.456 ' SG ' HG13 ' C' ' 40' ' ' ILE . 63.1 m -59.14 -45.1 91.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.632 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.91 -41.6 99.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.09 -39.0 93.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.475 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.59 -43.2 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.79 -42.53 89.28 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.95 -40.21 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.723 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 21.8 mt -60.86 -45.32 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.18 -42.77 88.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.41 ' SD ' HD13 ' A' ' 52' ' ' LEU . 17.9 mtt -65.42 -40.49 93.4 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.096 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -28.56 62.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.408 HD13 ' SD ' ' C' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.656 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -78.16 -8.02 57.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.341 0.591 . . . . 0.0 109.62 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.45 -35.21 76.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 6.8 m -59.36 -27.93 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.319 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -66.27 -37.35 85.27 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.282 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -63.27 -44.59 94.67 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.402 ' N ' HD11 ' C' ' 7' ' ' LEU . 7.7 mp -63.73 -41.04 98.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.891 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 81.9 m -60.14 -45.14 94.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -65.41 -39.53 92.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.507 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.7 t -59.56 -37.08 77.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 0.0 110.033 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.95 88.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.016 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 26.5 mt -65.3 -42.47 93.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.164 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.26 -44.54 88.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.382 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -38.9 92.86 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.85 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -80.16 -32.43 38.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.76 -35.22 70.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.42 -7.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.737 0.303 . . . . 0.0 111.532 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -129.57 5.39 5.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' MET . . . . . 0.405 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 0.0 OUTLIER -60.3 -50.63 84.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.465 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' C' ' 20' ' ' MET . 19.9 Cg_exo -62.82 146.37 95.01 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.306 2.004 . . . . 0.0 111.616 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -55.66 -42.98 75.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -84.77 64.87 8.82 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' C' ' 28' ' ' LEU . . . -55.64 -41.55 73.72 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.276 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -58.99 -41.25 87.16 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.791 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -66.93 -37.37 84.19 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.91 -42.56 94.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 24' ' ' ALA . 18.9 mt -65.82 -42.08 91.05 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.56 -39.52 76.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.673 -1.603 . . . . 0.0 107.927 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -65.04 -45.75 84.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.206 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.37 -44.68 90.63 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.57 -49.46 76.55 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.033 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.61 -44.94 93.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.824 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.06 -44.91 91.0 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.895 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 87.0 m -65.32 -40.52 93.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.339 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.74 -39.93 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.47 -41.62 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.44 -40.72 87.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.456 HG13 ' SG ' ' B' ' 41' ' ' CYS . 31.0 mt -63.09 -42.98 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.46 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.5 m -59.06 -45.21 91.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.806 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.76 -41.65 99.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.449 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.49 -41.54 97.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.08 -39.16 93.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.391 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.51 -43.12 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -58.89 -42.59 89.88 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.91 -40.44 85.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 22.0 mt -60.69 -45.27 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.27 -42.72 88.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' MET . . . . . 0.408 ' SD ' HD13 ' B' ' 52' ' ' LEU . 18.4 mtt -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.186 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -28.74 62.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 117.616 -1.183 . . . . 0.0 109.775 179.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -77.96 -8.11 57.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.332 0.587 . . . . 0.0 109.659 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.3 -35.28 76.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.121 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -59.42 -27.67 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.304 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.48 -37.21 84.6 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.319 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -63.34 -44.68 94.17 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.402 ' N ' HD11 ' D' ' 7' ' ' LEU . 7.7 mp -63.64 -40.96 98.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.958 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -60.33 -45.09 94.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -65.3 -39.75 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.446 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.7 t -59.27 -37.08 76.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 110.159 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.82 87.8 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.248 -0.887 . . . . 0.0 108.985 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mt -65.46 -42.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.059 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.26 -44.66 88.48 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.386 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.51 -38.93 93.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.04 -12.89 60.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 18.2 t -80.08 -32.58 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.707 0.289 . . . . 0.0 111.391 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.64 -35.31 70.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.59 -7.59 9.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.471 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -129.77 5.42 5.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' MET . . . . . 0.404 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 0.0 OUTLIER -60.44 -50.51 85.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.395 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' D' ' 20' ' ' MET . 19.4 Cg_exo -62.91 146.32 94.84 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.284 1.989 . . . . 0.0 111.568 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -55.65 -43.12 75.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -84.61 64.85 8.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.58 74.3 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.199 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -58.87 -41.07 86.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.959 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.1 -37.39 83.84 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.02 -42.66 94.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.56 -42.23 92.08 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.957 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -65.23 -45.72 83.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.132 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -44.75 90.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.49 -49.49 76.54 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.102 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.47 -45.09 93.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.826 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -64.0 -45.06 90.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.826 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.38 -41.64 98.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.913 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.2 m -65.6 -40.41 92.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.278 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 56.9 mt -65.88 -39.86 91.06 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.4 -41.7 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.44 -40.79 87.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.46 HG13 ' SG ' ' C' ' 41' ' ' CYS . 30.9 mt -63.02 -43.07 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' E' ' 40' ' ' ILE . 63.5 m -59.15 -45.03 92.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.795 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.95 -41.5 99.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -64.01 -39.09 93.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.424 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.53 -43.12 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.81 -42.77 89.91 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.68 -40.45 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 21.7 mt -60.68 -45.36 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.2 -42.71 88.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.215 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 17.9 mtt -65.43 -40.3 93.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.162 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.76 -28.66 62.74 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.681 179.734 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -77.91 -8.08 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.367 0.603 . . . . 0.0 109.786 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.37 -35.32 77.14 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.106 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 7.0 m -59.35 -27.84 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.22 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.22 -37.39 85.44 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.302 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -63.24 -44.7 94.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.404 HD11 ' N ' ' E' ' 7' ' ' LEU . 7.7 mp -63.61 -41.03 98.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -60.2 -45.16 94.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -65.36 -39.59 92.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.486 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -59.46 -37.04 77.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.301 0.572 . . . . 0.0 110.064 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.84 88.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 26.4 mt -65.53 -42.24 92.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.08 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.49 -44.66 89.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.359 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.43 -38.88 92.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.309 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.24 -12.6 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -80.35 -32.5 37.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.73 -35.24 70.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 47.7 pt -72.56 -7.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.422 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -129.47 5.53 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' MET . . . . . 0.409 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 0.0 OUTLIER -60.45 -50.55 85.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.443 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' E' ' 20' ' ' MET . 19.1 Cg_exo -62.82 146.49 95.04 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.311 2.007 . . . . 0.0 111.607 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.88 -42.87 76.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.89 64.91 8.91 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' E' ' 28' ' ' LEU . . . -55.62 -41.76 73.96 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.1 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -58.91 -41.1 86.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.859 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.11 -37.2 83.48 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.132 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.08 -42.75 95.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.194 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' E' ' 24' ' ' ALA . 19.8 mt -65.56 -42.12 92.19 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.7 -39.26 76.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 113.688 -1.596 . . . . 0.0 107.937 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -65.34 -45.69 83.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.173 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.32 -44.91 90.08 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.307 -0.557 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -61.41 -49.14 78.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.077 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.82 -45.04 92.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.821 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.81 -45.14 90.97 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.35 -41.85 98.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 87.2 m -65.42 -40.61 93.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.232 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -65.71 -39.79 91.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.36 -41.82 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.35 -40.91 87.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.459 HG13 ' SG ' ' D' ' 41' ' ' CYS . 31.0 mt -62.9 -43.09 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.447 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.1 m -59.2 -44.97 92.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.738 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.98 -41.8 99.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 66.4 mt -64.18 -39.15 93.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.43 -43.3 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -58.76 -42.45 88.91 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -66.93 -40.37 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.773 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 21.9 mt -60.8 -45.18 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.12 -42.95 88.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 17.8 mtt -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.197 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 117.542 -1.218 . . . . 0.0 109.766 179.747 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.96 -53.16 28.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 0.0 109.769 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.6 -26.47 2.73 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.53 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.2 m -59.21 -24.42 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.28 -42.2 98.23 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -65.08 -42.93 93.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.933 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -61.47 -44.15 97.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.4 m -60.29 -43.61 96.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.911 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.83 -38.94 92.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.941 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -60.38 -34.52 74.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.95 85.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mm -65.12 -41.97 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.089 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.421 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -60.27 -44.81 95.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.74 -22.97 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' HG ' HE22 ' A' ' 23' ' ' GLN . 2.2 t -69.17 -34.19 74.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.043 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -43.46 52.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.923 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.8 pt -70.18 -13.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -108.78 -5.84 16.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.6 ttt -144.35 80.96 11.66 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.386 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.93 -24.17 71.54 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.17 2.58 . . . . 0.0 111.449 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.03 -29.11 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.479 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.41 HE22 ' HG ' ' A' ' 16' ' ' SER . 86.8 mt-30 -58.66 -46.02 88.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 176.9 99.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.193 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -59.86 -34.92 73.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -65.38 -34.72 78.98 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.31 -42.16 98.99 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.44 -42.85 99.4 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 108.118 -1.068 . . . . 2.04 108.118 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -59.97 -40.25 88.42 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 113.994 -1.457 . . . . 2.3 108.166 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -64.01 -43.07 96.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.366 -0.834 . . . . 2.43 110.909 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.71 -46.21 72.89 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.276 -0.57 . . . . 2.39 110.609 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.96 -43.22 95.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.941 0.401 . . . . 2.44 111.586 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -70.46 -43.82 77.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.06 -0.518 . . . . 2.29 110.781 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.98 -50.05 74.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.14 -0.482 . . . . 2.32 110.524 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -63.73 -41.97 97.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.314 -0.403 . . . . 2.49 110.878 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.01 -42.28 94.58 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.326 -0.55 . . . . 2.34 110.829 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.584 -0.525 . . . . 2.18 109.584 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.51 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.197 -1.038 . . . . 2.2 108.197 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.56 -39.68 91.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.909 -0.587 . . . . 2.34 109.853 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.26 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.619 -0.882 . . . . 2.34 108.619 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.07 -42.21 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.247 -0.888 . . . . 2.17 109.114 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.34 -42.38 99.34 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.72 -0.474 . . . . 2.16 109.72 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.5 -42.97 93.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.879 -0.786 . . . . 2.44 108.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.14 -39.17 93.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.508 -0.553 . . . . 2.34 109.508 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.1 -43.38 97.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 109.146 -0.687 . . . . 2.24 109.146 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -58.22 -40.52 81.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 2.31 109.802 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.7 -41.65 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.088 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.72 -46.09 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 N-CA-C 108.282 -1.007 . . . . 2.57 108.282 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.76 -46.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.302 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.8 mmm -63.97 -42.0 97.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -21.45 43.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.233 0.539 . . . . 0.0 110.244 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.383 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.16 -53.27 26.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.63 -26.1 2.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 m -59.61 -24.38 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -61.21 -42.08 97.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.18 -42.88 93.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.866 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.23 -42.62 99.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.741 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -61.56 -43.17 99.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.832 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -64.01 -39.7 94.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.91 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -59.57 -35.21 73.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.47 88.2 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.85 -42.03 93.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.097 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -58.95 -41.78 88.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.386 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -61.35 -43.58 98.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.01 61.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.84 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -69.34 -34.04 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.04 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -43.81 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.809 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 pt -69.86 -14.01 17.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -108.89 -5.78 16.03 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 7.7 ttt -144.32 80.86 11.77 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -58.75 -24.69 72.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.186 2.591 . . . . 0.0 111.262 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.59 -29.21 61.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.464 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -58.66 -45.91 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.12 101.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.807 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -61.2 -35.16 76.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.109 0.48 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.14 -37.86 88.99 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.55 -39.98 93.05 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.13 -43.04 99.51 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.46 -38.53 84.52 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.711 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -64.79 -44.13 90.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.565 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.68 -43.98 78.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.26 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.5 -48.18 82.88 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.25 -43.73 91.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.353 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -61.46 -49.47 76.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.34 -42.46 98.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 61.9 m -64.41 -44.76 90.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.562 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.72 -38.51 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.878 0.371 . . . . 0.0 110.065 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.17 -43.83 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.84 -39.86 95.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.318 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.81 -42.57 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -62.34 -41.26 98.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.703 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.6 mt -62.56 -41.45 98.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.12 -42.9 99.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.22 -38.92 92.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.487 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.62 -42.41 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.23 -40.28 85.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.801 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.43 -43.11 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.45 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 109.409 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.72 -44.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.129 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 81.0 mmm -65.8 -41.81 91.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.945 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -21.47 44.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.245 0.545 . . . . 0.0 110.104 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.117 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.21 -53.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.27 -26.25 2.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.59 -24.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.29 -42.04 97.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -65.12 -43.16 92.87 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.886 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.08 -42.6 99.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 72.8 m -61.8 -43.39 98.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -63.54 -39.58 94.79 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.068 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -59.44 -35.54 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.49 89.05 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.011 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -59.09 -41.78 88.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.478 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.44 61.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -68.98 -34.19 74.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.982 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.14 -43.55 51.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.871 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 pt -70.12 -14.02 17.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.228 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.69 -5.97 16.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -144.08 80.73 12.13 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.453 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -58.87 -24.32 71.76 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 123.23 2.62 . . . . 0.0 111.318 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.88 -29.24 62.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.56 -46.26 87.25 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.32 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -61.02 -35.49 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -64.03 -37.96 89.35 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -40.03 92.85 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.547 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.98 -42.99 99.99 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.45 -38.57 84.57 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.558 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -65.0 -43.94 90.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.71 -44.07 78.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.35 -47.84 84.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.1 mt -66.83 -43.47 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -61.48 -49.9 74.92 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.599 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.3 -42.17 99.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.761 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 63.8 m -64.5 -45.18 88.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.458 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.2 -39.02 93.44 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.102 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.83 -43.92 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.83 -39.94 95.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.682 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.61 -43.17 97.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.1 -38.92 92.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.523 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.64 -42.11 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.66 -40.26 87.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.708 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.31 -42.92 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.7 -42.56 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.507 0.67 . . . . 0.0 109.231 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.44 -44.86 97.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.34 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 80.5 mmm -65.46 -41.94 92.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.079 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.76 -21.71 44.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 47.7 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.309 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.0 -53.77 23.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 109.665 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.05 -26.33 2.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.48 -24.16 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -61.48 -41.72 97.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.49 -43.0 91.55 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.692 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.08 -42.35 99.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 0.0 109.824 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -61.87 -43.34 99.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.643 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.14 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -59.41 -35.24 73.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.76 -39.34 87.85 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -65.14 -41.63 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.975 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -59.32 -41.58 89.4 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.479 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -61.65 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -23.49 62.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.761 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.406 ' HG ' HE22 ' D' ' 23' ' ' GLN . 2.1 t -69.15 -33.79 73.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.144 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -43.26 49.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.71 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 pt -70.39 -13.58 17.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.233 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.91 -6.3 15.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -143.74 80.82 12.47 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.431 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.77 -24.27 70.71 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.953 2.435 . . . . 0.0 111.615 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -56.86 -29.27 62.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.336 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . 0.406 HE22 ' HG ' ' D' ' 16' ' ' SER . 86.8 mt-30 -58.6 -46.25 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.46 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.797 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -61.11 -35.42 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.983 0.421 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.72 -38.14 90.01 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.419 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.17 -42.99 99.5 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.44 -38.49 84.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.52 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -64.92 -44.21 90.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.43 -44.11 79.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.46 -47.88 84.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.191 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 88.7 mt -66.69 -43.42 90.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -61.39 -49.98 74.71 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.692 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.21 -42.14 99.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 64.0 m -64.78 -44.9 88.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.398 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.064 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.85 -43.95 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.76 -39.94 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.438 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.8 -42.55 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.48 -41.13 98.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.46 -41.6 98.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.836 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 41.8 mt -60.65 -43.1 98.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.24 -39.03 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.586 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.58 -42.25 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.66 -40.16 86.81 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.27 -42.84 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -42.58 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.35 -44.98 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.056 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.261 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.6 mmm -65.33 -41.99 93.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.023 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -21.75 43.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 110.05 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.427 179.893 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.11 -53.35 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.4 -26.19 2.82 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.53 -24.4 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -61.14 -42.17 98.06 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.14 -43.04 93.17 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.897 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.152 0.501 . . . . 0.0 109.775 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.9 m -61.86 -43.53 98.65 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -63.5 -39.6 94.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.143 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.9 m -59.71 -35.19 74.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.43 88.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.421 -0.809 . . . . 0.0 108.825 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.0 -42.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.24 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -59.01 -41.54 87.93 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.518 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -61.71 -43.31 99.1 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -23.05 62.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.951 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' SER . . . . . 0.411 ' HG ' HE22 ' E' ' 23' ' ' GLN . 2.1 t -69.05 -34.28 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.165 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -43.81 50.86 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.747 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 pt -69.8 -14.22 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.272 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.8 -5.78 16.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -144.01 80.7 12.24 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.353 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -58.68 -24.47 70.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 123.117 2.545 . . . . 0.0 111.368 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.63 -29.33 62.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . 0.411 HE22 ' HG ' ' E' ' 16' ' ' SER . 87.0 mt-30 -58.53 -46.14 87.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.33 101.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.765 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -61.33 -35.39 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.05 -37.85 88.92 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -61.41 -40.09 93.12 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.12 -42.95 99.62 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.42 -38.6 84.56 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.639 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -64.82 -44.08 91.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.76 -43.78 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.87 -48.19 82.96 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.228 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.32 -43.52 91.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.243 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.57 -49.6 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.633 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.47 -42.09 98.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 62.0 m -64.57 -45.15 88.3 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.6 mt -63.4 -38.75 92.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.84 -43.88 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.68 -40.06 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.462 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.72 -42.56 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.55 -41.19 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.48 -41.55 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -43.16 99.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.16 -38.74 92.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.518 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.66 -42.4 95.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.31 -40.43 86.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.602 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.18 -42.9 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.75 -42.31 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.391 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.72 -44.68 96.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 81.2 mmm -65.56 -41.8 92.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.979 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -21.48 43.34 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.409 0.623 . . . . 0.0 110.168 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 48.6 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.172 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.73 -1.51 31.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 98.9 mttt -61.52 -44.69 96.61 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 m -65.29 -32.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.362 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -34.2 75.39 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.744 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 19.5 m-85 -63.87 -44.2 93.79 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 7' ' ' LEU . 7.0 mp -62.75 -43.52 98.59 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -57.76 -42.9 84.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.46 -40.19 95.25 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.078 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -61.3 -32.71 72.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.22 84.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.3 mm -64.96 -42.39 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.952 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -59.24 -41.41 88.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -64.4 -37.29 87.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.727 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.54 -14.35 56.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.223 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.13 -34.16 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.49 -36.07 68.32 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.808 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 pt -64.33 -21.18 28.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.539 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.41 -3.37 21.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.213 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.92 83.16 36.78 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.048 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.09 -21.52 62.93 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.51 2.14 . . . . 0.0 110.725 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.26 -31.91 70.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.868 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.68 -52.25 64.03 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.829 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.98 94.87 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 -58.51 -34.14 70.62 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.387 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.66 -41.53 86.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.566 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -65.39 -40.96 94.11 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.463 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.9 -43.3 93.3 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.179 -1.045 . . . . 2.16 108.179 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -60.24 -43.7 95.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 113.864 -1.516 . . . . 2.2 108.447 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.6 -45.08 94.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.001 -1.0 . . . . 2.39 111.01 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.46 -44.99 77.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.584 -0.446 . . . . 2.37 111.457 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.866 0.321 . . . . 2.43 111.866 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.12 -43.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 120.725 -0.39 . . . . 2.37 110.666 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.02 -49.55 75.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.433 -0.507 . . . . 2.29 110.546 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.71 -40.87 98.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.914 -0.315 . . . . 2.39 110.264 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 m -63.31 -42.43 99.02 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.357 -0.537 . . . . 2.33 110.198 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.67 -39.09 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 2.19 110.091 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.95 -43.77 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.916 -0.772 . . . . 2.15 108.916 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.59 -40.95 93.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 2.28 109.791 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 40' ' ' ILE . 36.4 mm -63.38 -42.27 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.975 -0.75 . . . . 2.36 108.975 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.99 -46.0 92.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.436 -0.802 . . . . 2.32 109.096 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.11 -42.45 99.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.471 -0.331 . . . . 2.2 110.316 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -59.39 -42.87 92.71 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.743 -0.465 . . . . 2.26 109.743 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.84 -38.68 92.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.612 -0.514 . . . . 2.29 109.612 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -62.56 -43.1 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.158 -0.682 . . . . 2.28 109.158 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.48 -39.04 89.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.897 -0.592 . . . . 2.33 109.539 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.24 -41.93 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.92 -0.582 . . . . 2.17 109.954 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.01 -42.34 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.521 0.677 . . . . 2.34 109.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.68 -44.06 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.792 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.95 -41.89 99.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.136 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.21 -20.6 51.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.703 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.309 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -78.12 -1.18 31.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 98.9 mttt -61.69 -44.31 97.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 m -65.63 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.385 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.08 75.03 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.722 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 19.5 m-85 -63.75 -44.69 92.74 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.58 -40.42 96.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -60.55 -42.69 97.06 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.49 -39.85 94.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.148 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -61.18 -33.29 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.49 86.73 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.74 -42.53 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 108.964 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -59.1 -40.89 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.132 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.12 -37.29 86.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.811 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.11 -14.19 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.15 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -93.4 -34.12 13.58 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.69 -36.03 67.78 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.756 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.31 -21.3 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.73 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.31 -3.41 21.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.13 83.11 38.17 Favored Pre-proline 0 N--CA 1.455 -0.2 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.984 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.99 -21.26 63.87 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.489 2.126 . . . . 0.0 110.785 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.45 -31.82 70.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.72 -51.86 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.85 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.69 95.42 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.455 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.16 -33.56 71.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 109.744 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.39 -42.3 86.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.315 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -64.62 -41.33 96.27 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.56 -43.0 95.3 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.97 -39.83 93.52 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.238 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.19 -45.72 83.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.456 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.63 -43.66 79.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.0 -48.09 83.45 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.778 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.81 -44.01 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -62.55 -48.86 77.66 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.76 -40.77 98.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.28 -44.58 94.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.879 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.71 -39.3 91.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.406 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.9 -42.71 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.55 -40.54 95.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.445 HG22 HD13 ' B' ' 40' ' ' ILE . 34.8 mm -63.48 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 73.0 m -61.38 -44.66 96.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.688 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.11 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.392 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.34 -42.94 99.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.666 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.96 -38.95 92.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.38 -43.19 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.5 -38.67 88.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.584 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.5 mm -64.13 -43.44 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.6 -41.72 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-O 121.519 0.676 . . . . 0.0 109.699 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.24 -43.68 95.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.955 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.43 -41.7 98.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.018 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.43 -20.93 50.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.746 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.083 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -77.98 -1.11 30.43 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.29 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.42 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 98.8 mttt -61.7 -44.45 96.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.58 -32.74 59.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.404 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -34.09 75.12 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.776 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . 0.42 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 19.8 m-85 -63.68 -44.73 92.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.56 -40.4 96.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -60.6 -42.57 97.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.57 -39.91 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.18 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -61.2 -33.28 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.41 86.8 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.8 mm -65.02 -42.22 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.158 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -59.62 -40.47 87.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.941 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.16 -37.37 87.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.774 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.05 -14.03 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -93.23 -34.57 13.52 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -72.24 -36.47 69.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.825 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 39.9 pt -64.06 -21.24 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.29 -3.41 21.24 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.133 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.11 83.14 38.09 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.973 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.92 -21.51 63.93 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.552 2.168 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.26 -31.89 70.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.939 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.696 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.57 95.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -59.25 -33.61 71.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.12 0.486 . . . . 0.0 109.762 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.36 -42.3 86.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.183 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.652 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.29 -43.16 95.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.99 -39.88 93.72 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.172 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.3 -45.47 84.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.43 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.61 -43.35 80.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.088 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.25 -48.35 81.86 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.44 -44.21 90.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.24 -49.23 76.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.52 -40.84 98.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 4.1 m -63.23 -44.64 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.249 -0.581 . . . . 0.0 109.826 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.91 -39.06 90.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.269 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.99 -42.64 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.53 -40.57 95.16 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.424 HG22 HD13 ' C' ' 40' ' ' ILE . 35.2 mm -63.58 -42.59 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 73.8 m -61.37 -44.59 96.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.68 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.43 -42.87 99.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.532 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.85 -38.83 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.63 -43.21 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.34 -38.82 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 CA-C-O 121.399 0.619 . . . . 0.0 109.851 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.37 -43.57 94.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.55 -41.6 98.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.984 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.43 -20.71 50.49 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.197 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.85 -1.47 31.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.404 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 98.8 mttt -61.63 -44.36 97.13 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.72 -32.64 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.248 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.08 74.97 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 20.0 m-85 -63.71 -44.81 92.52 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.38 -40.47 97.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 99.5 m -60.58 -42.64 97.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.59 -39.66 94.13 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.151 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -61.28 -33.33 73.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.44 86.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.96 -42.53 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.035 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -59.15 -40.76 86.54 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.91 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.08 -37.44 87.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.2 -13.89 58.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.267 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.65 -34.44 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.28 -36.27 68.94 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.851 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 39.2 pt -64.11 -21.15 28.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.681 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.49 -3.34 21.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.152 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.08 83.08 37.79 Favored Pre-proline 0 N--CA 1.455 -0.181 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.947 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.99 -21.4 63.74 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.465 2.11 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.19 -31.99 70.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.801 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.52 -51.95 65.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.907 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.66 95.26 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.305 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -59.18 -33.28 70.74 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -58.56 -42.37 87.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.236 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -64.66 -41.2 96.25 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.43 -43.13 95.27 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.73 -39.96 93.39 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.182 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.33 -45.58 83.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.567 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.79 -43.37 79.88 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.982 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.03 -48.2 82.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.73 -44.07 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -62.28 -48.87 77.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.991 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -63.06 -40.47 97.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.836 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.9 m -63.45 -44.78 93.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.701 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 26.7 mt -61.82 -38.98 90.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.19 -42.43 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.73 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.436 HG22 HD13 ' D' ' 40' ' ' ILE . 34.7 mm -63.55 -42.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.52 -44.54 96.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.695 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.47 -40.46 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.5 -42.91 99.52 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mt -63.76 -38.96 93.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.28 -43.33 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.31 -38.88 88.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.574 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.21 -43.4 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.28 -42.07 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 CA-C-O 121.402 0.62 . . . . 0.0 109.749 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.07 -43.76 95.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.54 -41.56 98.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.66 -20.55 49.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.616 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.568 0 CA-C-O 117.877 -1.058 . . . . 0.0 110.191 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -78.02 -1.43 32.17 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . 0.418 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 98.9 mttt -61.53 -44.45 97.03 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.76 -32.27 57.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.896 -1.502 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.03 74.57 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.799 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . 0.418 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 19.7 m-85 -63.86 -44.37 93.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.76 -40.54 96.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -60.41 -42.44 95.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.64 -40.2 95.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.127 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -61.02 -33.21 72.91 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.5 86.77 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.68 -42.51 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.01 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -59.31 -40.58 86.67 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.072 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -65.23 -37.24 86.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.734 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.07 -14.44 57.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.17 -34.24 13.69 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -72.49 -36.2 68.37 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.845 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.2 -21.32 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.722 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.24 -3.47 21.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.268 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.14 83.18 38.33 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.013 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.86 -21.62 64.14 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.437 2.091 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.18 -31.89 70.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.54 -51.76 66.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.733 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.45 95.46 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.25 -33.48 71.08 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -58.4 -42.25 86.71 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -64.81 -41.26 95.92 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.416 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.27 -43.35 95.1 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.79 -40.01 93.7 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.144 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.2 -45.64 83.93 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.498 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.77 -43.48 79.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.693 0.283 . . . . 0.0 110.515 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.85 -44.23 89.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.28 -48.5 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.04 -40.71 98.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.8 m -63.38 -44.64 94.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.766 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.78 -39.07 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.32 -42.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.42 -40.63 95.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.452 HG22 HD13 ' E' ' 40' ' ' ILE . 36.3 mm -63.65 -42.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 70.9 m -61.57 -44.56 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.703 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.25 -40.79 98.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -61.24 -42.66 98.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.581 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mt -64.29 -38.76 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.2 mm -62.51 -43.06 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.52 -38.82 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.656 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.05 -43.52 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.38 -41.95 94.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.434 0.635 . . . . 0.0 109.818 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -65.12 -43.73 95.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.888 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.57 -41.64 98.37 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.879 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 pp -78.56 -20.37 50.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.701 -1.142 . . . . 0.0 110.153 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.301 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.67 -11.44 22.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.464 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -28.18 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.93 -38.99 90.53 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.535 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.27 -44.89 82.31 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.3 mp -60.18 -40.36 89.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -59.86 -49.89 75.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -57.76 -38.74 75.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -62.06 -32.82 73.39 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.8 91.14 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.277 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.84 -43.11 94.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -59.68 -43.74 93.91 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.83 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -59.83 -45.13 93.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.7 64.94 1.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.9 -60.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -70.16 -32.4 70.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.54 -4.51 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.408 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -138.57 19.15 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.98 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.94 166.67 40.69 Favored Pre-proline 0 C--O 1.224 -0.269 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -66.95 -18.93 52.48 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 121.688 1.592 . . . . 0.0 110.623 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.68 -49.3 75.67 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.845 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -144.22 150.86 38.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.043 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.72 -66.94 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -62.12 -40.2 95.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -64.05 -35.79 81.89 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.2 -38.0 89.43 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.528 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.24 -43.33 99.06 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 108.018 -1.104 . . . . 2.15 108.018 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.8 -42.35 97.42 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.156 -1.384 . . . . 2.58 107.809 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.58 -49.34 75.64 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.26 -0.576 . . . . 2.23 111.849 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.34 -44.89 93.56 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.813 -0.355 . . . . 2.23 111.289 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 21.3 t80 -57.45 -52.34 65.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.958 -0.756 . . . . 2.47 108.958 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.78 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.534 -0.466 . . . . 2.27 111.049 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.57 -53.14 61.55 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.692 -0.403 . . . . 2.36 110.046 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -57.55 -42.5 83.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.371 -0.377 . . . . 2.56 110.673 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 96.5 m -65.33 -37.04 85.88 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.203 -0.599 . . . . 1.99 110.776 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.89 -41.34 95.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.19 -0.67 . . . . 2.14 109.19 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.13 -43.3 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.165 -0.68 . . . . 2.51 109.165 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.32 -42.16 99.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.04 -42.8 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.335 -0.617 . . . . 2.25 109.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.84 -43.81 98.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 2.32 108.791 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.01 -42.85 99.6 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.682 0.277 . . . . 2.18 110.28 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.17 -42.68 95.49 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.051 -0.722 . . . . 2.35 109.051 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.992 -0.549 . . . . 2.31 109.951 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.41 -42.62 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.338 -0.616 . . . . 2.12 109.338 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.83 -39.3 88.49 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.427 -0.583 . . . . 2.26 109.427 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -65.13 -41.57 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.953 -0.567 . . . . 2.33 109.92 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.01 -43.96 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 121.425 0.631 . . . . 2.35 109.32 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.01 -44.2 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.393 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 mtt -64.35 -39.41 93.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.23 -38.11 89.87 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.932 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.66 -23.94 66.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.95 -9.3 22.92 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -27.94 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.64 -39.55 91.72 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.333 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.46 -41.89 88.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.874 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.55 -40.06 95.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 31.0 m -61.88 -44.42 96.84 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.7 -39.0 92.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.56 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.49 -33.16 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.328 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.73 -42.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.62 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.5 -39.13 89.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.73 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -63.8 -41.56 97.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.08 65.68 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.71 -60.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -70.67 -32.11 69.25 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.94 -4.15 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.409 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -139.1 18.79 2.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.031 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.81 166.88 39.39 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.08 -19.12 51.65 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 121.508 1.472 . . . . 0.0 110.705 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.27 -49.57 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.873 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -144.14 151.04 39.02 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.75 -67.44 0.34 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.3 -40.78 95.44 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.571 0.545 . . . . 0.0 112.065 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -63.37 -37.73 88.39 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.35 -35.26 78.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.412 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.38 -42.87 98.86 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.54 -38.94 91.99 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.006 -1.452 . . . . 0.0 108.553 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.65 -49.98 68.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.24 -42.87 96.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.877 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.503 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 21.8 t80 -59.53 -49.58 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.594 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -64.22 -43.87 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -61.07 -47.92 84.12 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.4 -42.45 99.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.204 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.503 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 97.5 m -64.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.653 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.83 -42.2 93.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.59 -43.15 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.2 -42.53 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.724 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.01 -43.24 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 97.0 m -62.14 -42.67 99.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.491 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.7 -41.4 99.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.085 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.72 -42.65 99.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.83 -39.68 94.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.836 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.23 -42.57 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.5 m -60.63 -39.59 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -64.84 -42.46 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.35 -42.8 97.64 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 121.347 0.594 . . . . 0.0 109.661 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.39 -44.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.106 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.03 -39.67 94.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.738 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.87 -38.6 91.7 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.715 179.797 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.81 -23.81 66.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.82 -9.55 22.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.63 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -28.32 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.36 -39.44 90.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.387 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.76 -41.93 86.94 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.661 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.28 -40.21 95.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 17.0 m -61.82 -33.11 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.52 88.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.439 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -61.54 -42.76 95.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.71 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.66 -39.12 90.24 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.65 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -63.78 -41.14 98.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.59 65.49 1.06 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.63 -60.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -71.01 -32.29 69.04 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.84 -3.95 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -139.02 18.71 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.029 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.85 166.71 40.52 Favored Pre-proline 0 N--CA 1.464 0.25 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.919 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.01 -18.99 52.21 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.609 1.54 . . . . 0.0 110.774 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -62.3 -49.4 75.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -144.28 151.36 39.29 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.983 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.0 -67.08 0.34 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -61.72 -40.99 97.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.487 0.492 . . . . 0.0 112.085 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -62.97 -37.68 88.08 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 109.946 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.55 -35.53 79.74 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.321 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.02 -42.92 99.91 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.57 -38.79 91.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.965 -1.471 . . . . 0.0 108.611 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.73 -49.94 68.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -43.07 96.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 21.7 t80 -59.61 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.644 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.97 -43.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.98 -48.23 82.77 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.836 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.31 -42.41 99.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.088 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 96.9 m -64.6 -38.11 89.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -60.0 -41.67 92.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.86 -43.11 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.27 -42.42 99.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.407 HG22 HD12 ' C' ' 40' ' ' ILE . 32.7 mm -63.08 -43.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.1 -42.49 99.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.555 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.05 -41.4 99.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.19 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.68 -42.89 99.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.7 -39.76 95.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.811 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.23 -42.72 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.5 m -60.51 -39.55 88.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.91 -42.54 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.877 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.35 -42.72 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-O 121.411 0.624 . . . . 0.0 109.745 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.29 -44.66 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.044 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 52.4 mtt -63.81 -39.71 94.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -38.04 89.61 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.655 179.741 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.67 -23.83 66.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.87 -9.24 23.09 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.66 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.34 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -61.25 -39.35 90.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.466 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.69 -42.04 87.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.684 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.18 -40.29 95.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -61.6 -44.81 96.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.34 -38.61 90.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.682 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -61.88 -33.06 73.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.51 88.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.393 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -61.52 -42.78 95.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.61 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -61.65 -39.32 90.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.68 -41.05 98.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.72 65.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.51 -59.72 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -71.41 -32.24 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.72 -4.16 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.408 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -138.83 18.73 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.063 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.67 166.78 40.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.988 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -67.07 -18.99 51.82 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.709 1.606 . . . . 0.0 110.645 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -62.53 -49.41 75.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.708 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -144.21 151.21 39.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.02 -67.23 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -61.57 -40.93 96.49 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.54 0.525 . . . . 0.0 111.959 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -63.08 -37.73 88.38 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.059 0.457 . . . . 0.0 110.057 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.48 -35.65 80.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.158 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.88 -43.04 99.86 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.43 -38.95 91.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.009 -1.45 . . . . 0.0 108.599 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.55 -50.01 69.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -42.94 96.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.782 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 21.5 t80 -59.65 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.665 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.97 -43.79 97.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.06 -48.1 83.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 95.5 m -64.57 -38.15 90.0 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.9 -41.74 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.94 -43.12 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.32 -42.38 99.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.681 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 32.6 mm -63.04 -43.15 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.47 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.213 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.73 -42.81 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.73 -39.67 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.854 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.25 -42.63 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -60.72 -39.39 88.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.592 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.97 -42.44 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.82 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.47 -42.87 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.19 -44.45 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 52.0 mtt -63.9 -39.7 94.79 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.89 -38.33 90.68 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.643 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.64 -23.68 66.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.06 -9.23 22.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.13 -28.65 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.22 -39.06 88.85 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -66.93 -42.15 85.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.67 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mp -62.25 -39.98 94.67 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -61.61 -44.75 96.41 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.62 -39.21 93.06 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -61.24 -33.18 73.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.39 87.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.402 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.57 -42.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.657 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.63 -39.51 91.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.693 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.32 -41.44 98.92 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.28 65.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.8 -60.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -71.09 -31.78 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.13 -4.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.374 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -138.87 18.79 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.72 166.71 40.66 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.01 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.96 -18.96 52.46 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.645 1.563 . . . . 0.0 110.835 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -62.51 -49.78 74.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.698 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -143.83 151.25 39.67 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.121 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.07 -67.1 0.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -61.83 -40.35 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.518 0.511 . . . . 0.0 111.932 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -63.48 -37.77 88.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.042 0.449 . . . . 0.0 109.996 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.45 -35.31 78.89 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.401 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 17.0 mt -63.26 -42.87 99.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.6 -38.98 92.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.48 -50.07 68.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.709 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.3 -43.01 96.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.8 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . 0.498 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 21.8 t80 -59.45 -49.48 77.64 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.6 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.217 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.98 -48.12 83.29 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.34 -42.39 99.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.498 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 97.9 m -64.53 -38.34 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.85 -41.97 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -63.75 -43.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.424 HG22 HD12 ' E' ' 40' ' ' ILE . 32.4 mm -63.04 -43.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.17 -42.59 99.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.428 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.78 -41.57 99.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.58 -42.75 99.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.69 -39.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.693 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.01 -42.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.7 m -60.65 -39.61 88.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.87 -42.44 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.32 -42.88 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 109.676 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.29 -44.31 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.22 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 51.8 mtt -63.98 -39.83 95.01 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.791 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.73 -38.35 90.78 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.737 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.43 -43.93 8.14 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.95 -44.34 85.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.94 0.876 . . . . 0.0 109.737 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -61.97 -24.77 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 113.932 -1.485 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -38.6 89.14 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.19 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -65.11 -42.28 94.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.86 -43.24 99.32 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.4 m -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.83 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -64.0 -39.86 95.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.504 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -61.48 -32.33 72.33 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.72 95.02 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.93 -43.18 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.212 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.36 -43.94 98.02 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.181 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -65.15 -44.56 88.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.045 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.16 82.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.964 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.6 p -79.49 -26.56 41.59 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -44.47 63.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.251 -1.34 . . . . 0.0 112.36 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 pt -68.39 -9.79 11.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.78 0.324 . . . . 0.0 111.005 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -129.35 14.12 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.5 tpp -55.2 125.68 58.7 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.454 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.27 -157.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.277 1.985 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -72.5 62.77 0.55 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.173 0.511 . . . . 0.0 111.12 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.67 -40.47 84.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.486 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.67 155.65 1.35 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.339 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -56.35 -32.4 64.67 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.681 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -65.89 -43.14 89.16 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.035 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -62.08 -50.25 72.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.622 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 23.2 mt -61.45 -43.21 99.27 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 109.029 -0.73 . . . . 1.9 109.029 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -56.56 -37.94 71.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.832 -1.531 . . . . 2.38 108.924 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.12 -41.29 90.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 2.49 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.64 -48.14 70.36 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 119.689 -0.804 . . . . 2.44 111.306 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.92 -55.6 32.87 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.163 -0.615 . . . . 2.62 109.903 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.15 -44.72 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.883 -0.599 . . . . 2.34 112.331 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.75 -49.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 119.241 -0.984 . . . . 2.24 110.01 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.185 -0.606 . . . . 2.59 110.608 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -66.41 -37.61 85.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.223 -0.591 . . . . 2.33 110.746 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.9 mt -63.45 -40.09 96.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.149 -0.478 . . . . 2.02 109.871 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.22 -43.74 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 108.477 -0.935 . . . . 2.29 108.477 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.2 -41.31 96.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 2.35 110.122 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -63.64 -43.56 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 109.437 -0.579 . . . . 2.31 109.437 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.71 -45.21 94.94 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.73 -0.841 . . . . 2.37 108.73 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.69 -42.23 98.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.761 -0.459 . . . . 2.22 109.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.39 -42.34 95.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.384 -0.599 . . . . 2.28 109.384 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.82 -41.17 97.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.35 0.595 . . . . 2.49 109.654 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 2.42 109.588 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.3 -36.91 81.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.394 -0.821 . . . . 2.37 109.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.26 -40.5 88.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.628 -0.714 . . . . 2.37 110.588 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.2 -42.21 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 108.872 -0.788 . . . . 2.44 108.872 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.83 -45.97 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.539 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -62.68 -40.75 98.06 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.911 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.96 -42.25 94.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.068 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.48 -43.71 8.22 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.33 -43.91 84.8 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.896 0.855 . . . . 0.0 109.832 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.25 -24.7 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 110.224 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -38.76 89.03 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -64.82 -42.16 95.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.97 -40.84 97.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 82.8 m -61.72 -43.88 98.0 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -63.94 -40.07 95.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.612 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 p -63.08 -28.81 70.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.05 84.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -65.88 -42.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.059 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -61.29 -43.79 98.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.019 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -65.76 -43.56 88.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.233 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.016 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -79.53 -26.56 41.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -44.76 62.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.345 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -68.47 -9.81 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.596 0.236 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -128.93 13.84 6.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 24.0 tpp -54.94 125.66 56.82 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.24 -156.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.261 1.974 . . . . 0.0 111.274 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -72.74 62.98 0.6 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.279 0.561 . . . . 0.0 111.068 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.05 -40.26 82.86 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.439 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.74 155.43 1.3 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -56.27 -32.36 64.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.46 -43.63 89.73 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.702 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.86 -45.5 92.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.49 -42.89 91.69 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -56.81 -37.96 71.91 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.556 -1.656 . . . . 0.0 108.781 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -65.89 -43.02 89.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.626 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.45 -44.82 86.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.078 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.62 -50.96 69.15 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.63 -44.31 96.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.04 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.7 -47.33 81.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.411 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -60.86 -42.77 98.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.119 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 99.1 m -66.46 -38.43 87.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.677 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.46 -40.23 95.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.182 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -63.15 -42.91 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.878 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.61 -43.6 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.65 -43.49 98.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.85 -40.84 98.7 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.742 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.3 -42.09 99.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.311 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.01 -41.7 97.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.547 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.82 -43.62 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.632 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.15 -37.18 81.92 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.721 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.52 -42.78 96.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.195 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.05 -42.26 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -44.5 98.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.026 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.7 mmm -63.91 -41.25 97.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.586 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.68 -42.4 95.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.56 -43.6 8.24 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.019 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.35 -43.69 85.32 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.848 0.832 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.48 -24.73 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-N 113.971 -1.468 . . . . 0.0 110.147 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.82 89.6 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -64.76 -42.34 95.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 83.5 m -61.65 -43.79 98.2 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.78 -40.35 96.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.507 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 1.7 p -62.75 -29.04 70.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.25 -42.74 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.54 -43.77 98.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.925 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -65.69 -43.45 89.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.214 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.92 83.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.99 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -79.4 -26.7 41.88 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -44.65 63.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.362 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 39.3 pt -68.41 -10.16 12.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.96 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -128.79 14.09 6.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.725 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 24.0 tpp -55.0 125.61 57.13 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.618 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.26 -156.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.295 1.996 . . . . 0.0 111.418 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -72.99 63.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.192 0.52 . . . . 0.0 110.951 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -67.94 -40.47 83.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.399 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 156.02 1.41 Allowed 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -56.99 -32.43 66.09 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.578 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.22 -43.7 90.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.666 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.97 -45.32 92.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 mt -65.48 -43.05 91.46 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -56.62 -37.81 71.22 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.808 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.06 -42.65 89.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.775 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.79 -44.94 84.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.051 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.65 -50.84 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.616 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 85.1 mt -64.81 -44.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.851 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.57 -46.95 83.51 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -61.14 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.023 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -66.28 -38.52 88.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.805 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 22.2 mt -62.57 -40.12 95.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.033 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 23.4 mt -63.33 -42.76 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.75 -43.27 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.65 -43.58 98.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.301 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.92 -40.84 98.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.28 -41.99 98.96 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.83 -41.76 97.76 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.672 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.95 -43.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.591 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.54 -36.99 82.16 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.646 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.7 -42.51 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.84 -42.4 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.76 -44.61 98.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.125 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.77 -41.25 98.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.519 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.78 -42.48 95.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.66 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.51 -43.71 8.21 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.26 -43.9 85.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.897 0.856 . . . . 0.0 109.776 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.3 -24.84 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.076 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -38.79 89.45 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -64.7 -42.27 95.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.95 -40.85 97.38 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 83.2 m -61.59 -43.83 98.14 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.539 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -62.98 -28.84 70.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 -40.76 83.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.19 -42.71 91.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.041 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.53 -43.83 98.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 71.5 ttp85 -65.78 -43.36 89.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.122 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.36 84.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.996 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -79.24 -26.78 42.41 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -44.82 63.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.443 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 pt -68.3 -9.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.967 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.98 14.04 6.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 24.2 tpp -55.06 125.49 57.18 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.06 -156.57 0.05 OUTLIER 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.385 2.057 . . . . 0.0 111.302 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -72.98 62.91 0.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 111.129 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -67.8 -40.63 83.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.432 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.5 155.79 1.44 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -56.72 -32.34 65.42 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.607 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.13 -43.96 90.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.77 -42.93 90.26 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -56.53 -37.89 71.1 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.86 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.94 -42.9 89.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.75 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.71 -44.8 84.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.998 -0.681 . . . . 0.0 112.047 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.79 -50.93 69.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.593 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 85.6 mt -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.938 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.82 -46.93 82.87 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.432 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -61.03 -43.17 99.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 99.2 m -66.22 -38.85 88.92 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.712 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 21.6 mt -62.4 -40.08 95.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.939 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 23.6 mt -63.33 -42.85 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.75 -41.53 97.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.76 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 24.6 mt -63.52 -43.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.147 0.499 . . . . 0.0 109.698 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 95.2 m -62.46 -43.67 98.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.334 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.84 -40.99 99.14 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.09 -42.21 98.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.7 -41.75 98.06 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.726 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.86 -43.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.692 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.18 -37.3 82.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.741 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.36 -42.82 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.62 -42.62 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.617 0.722 . . . . 0.0 109.126 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.77 -44.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.098 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -63.85 -41.26 97.83 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.505 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.77 -42.38 95.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.574 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.91 -43.75 8.04 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.28 -43.77 85.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.853 0.835 . . . . 0.0 109.874 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.32 -24.75 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.082 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -64.91 -42.15 94.99 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.97 -40.94 97.54 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 82.4 m -61.63 -43.68 98.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -63.91 -40.01 95.5 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.519 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -62.98 -28.89 70.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.28 0.562 . . . . 0.0 109.518 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.74 84.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -66.31 -42.91 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.021 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -61.4 -43.84 98.18 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.097 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -65.78 -43.45 88.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.158 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.87 83.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.84 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -79.59 -26.47 41.25 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -44.77 63.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.464 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -68.32 -9.68 11.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.951 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.17 14.19 6.19 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 24.1 tpp -55.14 125.47 57.61 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.71 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.08 -156.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.281 1.987 . . . . 0.0 111.394 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -72.97 63.06 0.64 Allowed 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.261 0.553 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.18 -40.33 82.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.402 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.66 155.71 1.36 Allowed 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -56.77 -32.45 65.63 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -65.06 -43.69 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.888 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.12 -45.21 93.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -65.51 -42.97 91.51 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -56.67 -37.91 71.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.931 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.94 -42.9 89.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.622 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -44.73 85.39 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.084 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.71 -50.95 69.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.535 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.93 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.75 -46.98 82.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.465 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -61.0 -43.06 99.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.963 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.19 -38.73 88.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.5 -39.92 95.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.58 -42.75 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.94 -41.19 97.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.914 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -63.85 -43.47 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 97.3 m -62.61 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.9 -40.9 98.97 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 mt -63.98 -41.63 97.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.535 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.96 -43.57 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.21 -37.34 82.64 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.824 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.27 -42.79 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.105 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.96 -42.57 96.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.63 -44.59 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.98 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.87 -41.08 97.84 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.512 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.88 -42.07 95.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.471 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.31 -2.46 28.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.46 -38.98 93.23 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.624 0.726 . . . . 0.0 109.082 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.59 -27.86 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.435 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.07 -37.44 87.46 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.052 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.13 -44.84 78.82 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.689 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mp -61.71 -41.32 97.45 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 m -60.54 -45.74 92.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' CZ ' HH21 ' A' ' 13' ' ' ARG . 73.3 ttt180 -60.33 -42.98 96.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.695 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -59.94 -34.06 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.469 0.652 . . . . 0.0 109.366 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.38 82.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.095 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.43 -42.04 94.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.536 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 99.7 mtt180 -60.24 -42.94 96.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.686 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.46 -40.74 89.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.108 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.49 80.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t -60.48 -42.29 95.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.616 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -81.17 -26.27 36.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.421 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -26.16 25.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.084 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.31 5.53 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.826 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.7 ttm -49.91 113.38 3.35 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.14 164.52 29.26 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.201 1.934 . . . . 0.0 110.472 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.73 100.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.02 -42.94 93.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.274 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.29 166.38 8.74 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -59.5 -32.96 70.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 0.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.7 -40.37 96.63 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.742 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.32 -43.8 96.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.65 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.24 -42.93 99.46 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.858 -0.793 . . . . 2.17 108.858 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.63 -38.98 92.34 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 113.875 -1.511 . . . . 2.61 108.168 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.63 -47.86 81.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.909 -0.587 . . . . 2.2 110.578 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.13 -45.18 89.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.489 -0.485 . . . . 2.27 111.167 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 8.8 t80 -57.75 -52.78 64.06 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.819 -0.753 . . . . 2.55 109.241 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.7 -0.4 . . . . 2.28 111.492 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -58.29 -52.43 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.378 -0.529 . . . . 2.38 110.259 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -59.33 -42.89 92.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.958 -0.564 . . . . 2.55 110.293 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 20.8 m -64.44 -38.98 92.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.275 -0.57 . . . . 2.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.83 -41.94 98.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.582 -0.525 . . . . 2.21 109.582 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -64.26 -44.32 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 115.727 -0.67 . . . . 2.54 109.342 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.01 -41.2 99.5 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.335 -0.393 . . . . 2.23 110.509 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.65 -43.12 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.871 -0.789 . . . . 2.21 108.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -62.52 -41.43 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.133 -0.94 . . . . 2.35 109.113 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.4 mt -62.44 -42.75 99.68 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.782 -0.367 . . . . 2.17 110.106 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.79 -41.74 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.726 -0.472 . . . . 2.3 109.726 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.69 -40.83 98.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.017 -0.735 . . . . 2.45 109.017 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -64.94 -42.86 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 2.21 109.283 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.66 -34.95 78.14 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.645 -0.707 . . . . 2.27 109.799 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -66.68 -40.21 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-O 121.33 0.586 . . . . 2.4 110.663 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.95 -42.42 88.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.124 -0.944 . . . . 2.18 110.118 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.84 -48.18 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.263 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 81.1 mmm -62.81 -46.94 85.61 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.229 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.06 -39.39 79.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.691 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.218 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.761 -179.665 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.6 ttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -75.19 -2.92 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.066 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.91 -36.62 84.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -58.75 -27.39 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.473 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.39 -37.04 86.12 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.267 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.05 -43.2 79.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.808 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.95 -41.62 99.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.542 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 71.1 m -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.419 ' CZ ' HH21 ' B' ' 13' ' ' ARG . 73.3 ttt180 -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.314 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.16 -33.97 72.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.292 0.568 . . . . 0.0 109.591 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.14 82.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.025 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 mt -64.56 -42.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.366 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.419 HH21 ' CZ ' ' B' ' 9' ' ' ARG . 99.7 mtt180 -60.29 -42.55 95.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.71 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.76 -40.87 88.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.982 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.1 t -60.61 -42.53 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.503 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.2 t -80.69 -26.23 37.65 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.741 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -25.76 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.078 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.92 5.73 28.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.825 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 ttm -50.32 113.34 3.46 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.051 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.08 164.35 29.63 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.255 1.97 . . . . 0.0 110.56 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.51 100.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -65.17 -42.21 93.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.455 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.78 166.77 7.81 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -60.29 -32.81 71.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.71 -40.04 95.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.86 -39.25 91.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.05 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.88 -43.27 93.46 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.02 -35.27 79.66 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.966 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -65.08 -48.52 73.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.692 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.56 -43.43 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.628 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 9.3 t80 -60.1 -49.53 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.939 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -43.32 94.84 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.619 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -60.85 -49.52 77.15 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.45 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.41 99.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . 0.408 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 20.8 m -64.16 -39.68 94.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.19 -42.0 97.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -64.27 -43.65 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.48 -40.79 98.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.96 -43.52 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.71 -41.32 99.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.555 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 mt -62.06 -41.72 98.44 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.3 -41.65 98.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.0 -41.34 99.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.38 -35.86 78.66 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.858 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.42 -43.34 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.109 0.481 . . . . 0.0 109.921 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 75.4 mt -64.28 -43.21 97.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.147 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.22 -46.66 80.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.856 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.42 -47.72 80.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.713 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.07 -39.21 79.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.959 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.714 -179.699 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 44.6 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -75.35 -2.85 30.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.91 -36.91 85.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.438 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.6 -27.21 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.485 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.52 -37.07 86.26 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.196 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -67.92 -43.32 79.49 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.799 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.74 -41.78 99.35 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.55 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 72.1 m -61.12 -42.89 99.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . 0.431 ' CZ ' HH21 ' C' ' 13' ' ' ARG . 73.8 ttt180 -62.68 -42.9 99.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.334 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.28 -33.81 72.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.351 0.596 . . . . 0.0 109.592 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.3 81.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.095 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mt -64.45 -42.2 94.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.589 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . 0.431 HH21 ' CZ ' ' C' ' 9' ' ' ARG . 99.7 mtt180 -60.16 -42.85 95.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.43 -41.03 89.78 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.954 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.72 81.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -60.48 -42.56 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.503 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.67 -26.45 37.59 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.689 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -25.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.194 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.83 5.56 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.771 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 11.9 ttm -50.27 113.44 3.53 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.099 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.15 164.31 29.5 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.331 2.02 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.39 100.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.35 -42.54 92.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.343 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.56 166.51 8.23 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -60.04 -32.9 71.34 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.405 0.441 . . . . 0.0 109.995 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.63 -40.05 95.91 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.76 -39.49 91.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.942 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.71 -43.15 94.36 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.17 -35.45 80.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.693 -1.594 . . . . 0.0 109.051 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.88 -48.65 73.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.51 -43.33 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.688 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . 0.404 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 9.0 t80 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.923 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.38 -43.56 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.53 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -60.84 -49.5 77.21 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.429 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -62.52 -42.42 99.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . 0.404 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 20.0 m -64.2 -39.64 94.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.97 -41.95 97.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.25 -41.04 99.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.93 -43.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.78 -41.23 99.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.457 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.1 -41.97 98.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.161 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.19 -41.61 99.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.01 -41.32 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -64.46 -43.66 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.47 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -65.86 -43.21 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-O 121.085 0.469 . . . . 0.0 109.956 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.33 -43.15 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.066 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.17 -46.51 81.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.893 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 80.5 mmm -63.54 -47.47 81.47 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.724 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.18 -39.39 78.74 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.961 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.219 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.61 -179.724 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 44.6 ttp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -75.67 -2.64 30.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.42 0.629 . . . . 0.0 109.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.94 -36.94 85.59 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.642 0.734 . . . . 0.0 109.507 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -58.56 -27.36 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.412 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.42 -37.17 86.58 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -67.82 -43.32 79.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.861 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.71 -41.76 99.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.625 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.6 m -61.08 -43.15 99.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . 0.425 ' CZ ' HH21 ' D' ' 13' ' ' ARG . 73.4 ttt180 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.405 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -60.22 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.07 82.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.091 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.54 -42.24 94.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.523 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . 0.425 HH21 ' CZ ' ' D' ' 9' ' ' ARG . 99.7 mtt180 -60.14 -42.85 95.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.532 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.44 -41.03 89.73 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.032 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.74 81.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -60.45 -42.7 96.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.481 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.57 -26.49 37.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -25.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.129 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.66 5.68 29.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -50.26 113.43 3.52 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 164.34 29.65 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.179 1.919 . . . . 0.0 110.61 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.36 100.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.3 -42.73 92.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.417 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.34 166.54 8.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -59.92 -33.0 71.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.991 0.424 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.49 -40.0 95.94 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.87 -39.54 92.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 mt -64.82 -42.97 94.54 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.41 -35.17 79.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.028 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.16 -48.66 72.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.529 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.43 -43.47 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 9.0 t80 -60.23 -49.29 78.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.895 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.44 -43.62 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -60.69 -49.39 77.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.47 -42.47 99.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.148 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . 0.415 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 20.5 m -64.18 -39.57 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.16 -41.98 97.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.51 -43.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.88 -43.54 98.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.541 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 mt -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.25 -41.59 99.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.1 -41.33 99.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.53 -43.5 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -61.44 -35.33 77.26 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.01 -43.24 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.0 mt -64.14 -43.23 97.37 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.098 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.34 -46.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.912 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 80.6 mmm -63.75 -47.24 81.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.682 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.25 -39.48 78.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.88 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.741 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 44.5 ttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.18 -2.97 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.424 0.63 . . . . 0.0 110.051 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.9 -36.75 84.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.476 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.62 -27.22 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.526 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.53 -36.94 85.84 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.196 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -68.08 -43.27 78.92 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.819 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.74 -41.63 99.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.603 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -61.25 -42.95 99.51 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . 0.419 ' CZ ' HH21 ' E' ' 13' ' ' ARG . 73.1 ttt180 -62.81 -42.78 99.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.336 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -34.04 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 0.0 109.515 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.06 -41.26 82.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.1 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.55 -42.25 94.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.396 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . 0.419 HH21 ' CZ ' ' E' ' 9' ' ' ARG . 99.7 mtt180 -60.1 -42.95 95.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.34 -40.93 90.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.042 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.74 81.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -60.36 -42.77 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.533 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.72 -26.35 37.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.561 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -25.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.069 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.88 5.71 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.846 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -50.23 113.28 3.37 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.064 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.97 164.34 29.87 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.186 1.924 . . . . 0.0 110.58 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.34 100.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.22 -42.53 93.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.474 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.43 166.74 8.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -60.32 -32.8 71.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.53 -40.08 96.09 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.88 -39.36 91.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.84 -43.32 93.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.02 -35.2 79.44 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -65.03 -48.57 73.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -43.25 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . 0.413 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 9.2 t80 -60.41 -49.39 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.866 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.36 -43.51 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.533 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -60.79 -49.4 77.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.58 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' E' ' 32' ' ' PHE . 20.0 m -63.93 -39.76 94.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.18 -42.16 98.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.07 -43.73 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.91 98.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.06 -43.59 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.2 m -62.62 -41.43 99.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.554 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.244 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.38 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -64.39 -43.68 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -61.39 -35.61 77.97 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.5 -43.52 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.02 0.438 . . . . 0.0 110.023 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 76.7 mt -64.07 -43.09 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.221 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.38 -46.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.967 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.86 -47.24 81.52 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.35 -39.22 78.26 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.936 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.219 -0.518 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.717 -179.715 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -95.46 -32.5 12.86 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.212 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.87 -50.17 65.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.077 0.941 . . . . 0.0 108.818 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.01 -26.09 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.771 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.8 -36.53 83.78 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.251 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -67.52 -41.96 83.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -62.94 -40.57 98.06 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -43.61 98.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.78 -41.34 99.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.704 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -61.71 -34.58 76.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.902 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.2 93.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.731 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.55 -43.73 96.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.824 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.86 -39.92 95.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.422 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -65.67 -43.77 88.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.54 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.72 68.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.63 -56.96 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.119 0.485 . . . . 0.0 110.3 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -74.15 -30.37 62.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.13 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 pt -75.46 -13.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.34 -15.44 40.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.427 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttt -163.58 60.13 0.87 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.416 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.24 162.84 28.19 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.347 2.032 . . . . 0.0 110.461 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -58.84 -49.07 79.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.966 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.17 -171.08 3.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.61 20.23 10.13 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.151 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.405 HH12 ' H ' ' E' ' 24' ' ' ALA . 99.6 mtt180 -56.67 -41.75 77.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -34.4 77.56 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.94 -48.4 66.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.121 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 mt -64.62 -42.58 95.41 Favored 'General case' 0 CA--C 1.484 -1.594 0 N-CA-C 108.815 -0.809 . . . . 1.95 108.815 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -56.87 -40.23 75.78 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.586 -1.643 . . . . 1.99 107.795 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -65.59 -37.54 86.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.483 -1.235 . . . . 2.82 111.109 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.72 -48.3 60.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.306 -0.558 . . . . 2.49 110.775 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.56 -42.21 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.533 -0.467 . . . . 2.38 111.602 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.51 -43.62 83.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 2.37 109.919 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.85 -46.21 90.43 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.019 -0.537 . . . . 2.19 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -61.8 -45.28 94.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.018 0.437 . . . . 2.39 111.066 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.73 -38.73 92.19 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.803 -0.759 . . . . 2.62 109.827 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -65.4 -36.29 83.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.75 -0.659 . . . . 2.05 109.582 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.04 -42.43 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.918 -1.142 . . . . 1.92 107.918 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.02 -41.59 83.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.762 -0.829 . . . . 2.45 108.762 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 ' CD1' ' SG ' ' E' ' 41' ' ' CYS . 29.4 mm -62.13 -42.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.874 -0.787 . . . . 2.35 108.874 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' B' ' 40' ' ' ILE . 60.4 m -59.58 -50.2 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.79 -0.641 . . . . 2.22 109.666 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.2 mt -61.4 -44.15 97.64 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.022 0.439 . . . . 2.45 111.436 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.7 mt -61.36 -42.4 98.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.876 -0.602 . . . . 2.37 110.071 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.57 -38.08 88.68 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.557 -0.457 . . . . 2.18 110.0 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 mt -60.09 -41.3 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.612 -0.885 . . . . 2.33 108.612 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.7 m -59.4 -38.32 80.26 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.551 -0.537 . . . . 2.28 109.551 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 47' ' ' ILE . 46.5 mm -64.69 -41.85 93.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.852 -0.425 . . . . 2.29 109.852 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.18 -43.68 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 108.447 -0.946 . . . . 2.8 108.447 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.83 -43.19 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.335 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.72 -38.24 90.32 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.49 -42.04 96.09 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.411 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -95.25 -32.85 12.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.273 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.0 -46.84 76.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.088 0.947 . . . . 0.0 109.49 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 m -63.15 -26.18 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.622 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 0.6 OUTLIER -65.7 -36.3 83.22 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.44 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . 0.401 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 17.7 m-85 -67.67 -41.96 82.92 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.405 HD11 ' N ' ' B' ' 7' ' ' LEU . 7.8 mp -63.07 -40.37 97.46 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -61.71 -42.52 99.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.388 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.51 -34.61 75.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.967 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.14 93.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.683 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 24.4 mt -64.53 -43.46 96.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.914 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.91 -39.51 94.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.349 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.302 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.08 67.76 1.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.66 -56.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.066 0.46 . . . . 0.0 110.041 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -74.08 -30.7 62.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.105 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 pt -75.42 -13.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.097 0.475 . . . . 0.0 110.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.77 -15.34 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.51 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -163.68 59.96 0.84 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.41 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -78.03 163.0 28.64 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.343 2.029 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -58.99 -49.26 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.11 -170.91 3.66 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.403 ' H ' HH12 ' C' ' 25' ' ' ARG . . . 60.37 21.11 10.68 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.74 -41.4 81.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 0.0 110.549 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -36.98 83.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -66.49 -46.26 76.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.287 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.58 -43.19 90.5 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -57.44 -38.36 74.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.474 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -66.11 -42.06 89.75 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.91 -44.18 85.96 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.47 -46.07 90.16 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.42 -44.02 94.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.629 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.99 -46.56 88.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -60.57 -45.62 93.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.511 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.53 -40.86 98.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.645 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.6 -36.41 83.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.899 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -39.99 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -60.35 -41.1 92.93 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.428 ' CD1' ' SG ' ' A' ' 41' ' ' CYS . 29.5 mm -61.94 -42.93 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' C' ' 40' ' ' ILE . 60.1 m -59.79 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.018 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.74 -43.33 99.06 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.412 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.45 -42.52 99.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.56 -37.5 86.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.068 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 mt -60.76 -41.29 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.62 -38.15 80.53 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.428 HD13 HG21 ' B' ' 47' ' ' ILE . 46.8 mm -64.37 -42.59 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -43.06 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.39 -42.88 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 86.8 mmm -64.84 -38.46 91.05 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.812 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.41 -41.91 96.36 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.421 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.21 -33.06 12.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.296 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -65.92 -46.91 76.55 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.112 0.958 . . . . 0.0 109.469 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.28 -25.97 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.599 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -36.45 83.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.447 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -67.73 -41.87 82.76 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.403 HD11 ' N ' ' C' ' 7' ' ' LEU . 8.0 mp -62.93 -40.64 98.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -61.64 -42.65 99.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -63.54 -41.74 98.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.322 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -61.42 -34.69 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.053 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -38.99 92.83 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.435 0.636 . . . . 0.0 109.62 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 24.6 mt -64.61 -43.65 96.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.971 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.1 -39.36 94.48 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -66.86 -39.62 87.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.773 -1.103 . . . . 0.0 113.343 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.95 68.18 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.74 -56.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.212 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -74.08 -30.75 62.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.081 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.04 -13.35 15.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.096 0.474 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -86.57 -14.92 41.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.808 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -164.16 59.78 0.77 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.519 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.96 162.86 28.93 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.433 2.089 . . . . 0.0 110.737 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.82 -49.31 78.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.921 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -146.96 -170.72 3.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . 0.405 ' H ' HH12 ' D' ' 25' ' ' ARG . . . 60.41 20.6 10.23 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.902 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.403 HH12 ' H ' ' B' ' 24' ' ' ALA . 99.6 mtt180 -57.12 -41.78 79.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.006 0.431 . . . . 0.0 110.533 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -37.45 85.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.502 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.99 -46.34 78.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.345 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.62 -43.1 90.58 Favored 'General case' 0 CA--C 1.488 -1.406 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.54 -38.74 75.21 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.271 -1.786 . . . . 0.0 108.579 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.75 -41.91 91.55 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.114 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.1 85.37 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -62.3 -46.37 89.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.009 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.46 -44.13 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.64 -46.41 89.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.86 -46.03 92.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.31 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.02 -40.9 99.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.706 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.51 -36.3 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.61 -40.55 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.74 -41.22 90.46 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.429 ' CD1' ' SG ' ' B' ' 41' ' ' CYS . 29.8 mm -61.89 -43.01 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' D' ' 40' ' ' ILE . 59.5 m -59.79 -49.44 77.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.054 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.8 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.384 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -62.64 -42.38 99.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.075 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.0 mt -62.9 -37.19 85.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.144 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.93 -41.52 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.49 -38.19 80.25 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.447 HD13 HG21 ' C' ' 47' ' ' ILE . 46.9 mm -64.25 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.35 -42.91 97.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -65.02 -38.58 91.38 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.37 -42.12 96.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.493 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.52 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.9 mmm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.34 -33.02 12.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -65.9 -47.17 75.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 122.178 0.99 . . . . 0.0 109.504 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 13.7 m -62.77 -26.32 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.656 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.33 -36.86 85.32 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.298 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -67.35 -41.79 84.55 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.21 -40.3 97.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.0 -42.4 99.11 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -63.71 -41.64 98.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.283 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -61.52 -34.75 76.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.919 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.45 0.643 . . . . 0.0 109.717 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.24 -43.69 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.992 -1.003 . . . . 0.0 108.997 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.09 -39.22 94.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -67.17 -39.45 86.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.374 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.93 67.72 1.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.67 -56.62 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.926 0.393 . . . . 0.0 110.161 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -74.19 -30.36 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.149 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -75.55 -13.16 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.56 -15.22 40.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.501 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttt -163.91 59.83 0.8 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.573 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.91 162.89 29.05 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.36 2.04 . . . . 0.0 110.663 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.68 -49.61 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -146.6 -170.31 3.48 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . 0.408 ' H ' HH12 ' E' ' 25' ' ' ARG . . . 59.79 21.12 9.95 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.007 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.405 HH12 ' H ' ' C' ' 24' ' ' ALA . 99.6 mtt180 -57.48 -41.74 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.941 0.4 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -37.31 85.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -66.24 -46.24 77.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.65 -43.03 90.66 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.72 -38.38 75.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.321 -1.763 . . . . 0.0 108.379 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -66.04 -42.02 90.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.186 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.11 85.35 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -62.38 -46.31 89.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.92 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.41 -43.85 94.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.09 -46.36 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -60.65 -45.86 92.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.384 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -63.55 -40.68 97.63 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.66 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.58 -36.15 82.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.034 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.66 -40.46 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.92 -41.21 91.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.441 ' CD1' ' SG ' ' C' ' 41' ' ' CYS . 29.2 mm -61.8 -43.04 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.437 ' SG ' ' CD1' ' E' ' 40' ' ' ILE . 59.7 m -60.01 -49.35 78.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.01 -42.95 99.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.34 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.7 -42.33 99.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.076 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.81 -37.2 85.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.162 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -60.89 -41.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.51 -38.4 80.86 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . 0.409 HG21 HD13 ' D' ' 47' ' ' ILE . 46.6 mm -64.03 -42.65 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.8 -42.79 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.64 -42.92 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.92 -38.44 90.96 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.22 -42.17 96.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.492 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -95.24 -32.86 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.246 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -66.1 -46.89 76.03 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.06 0.933 . . . . 0.0 109.546 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 m -63.23 -26.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.544 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.64 -36.54 83.98 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.376 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -67.65 -41.99 82.94 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mp -62.84 -40.49 97.6 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -61.55 -42.41 98.8 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.11 -41.35 97.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.324 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.56 -34.92 76.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.973 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.14 93.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.7 mt -64.54 -43.73 96.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.838 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.92 -39.23 93.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -67.09 -39.39 86.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.304 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.15 68.06 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.88 -56.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -74.25 -30.33 62.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 pt -75.5 -13.41 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.179 0.514 . . . . 0.0 110.044 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.24 -15.52 40.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.487 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -163.65 59.96 0.84 Allowed Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.389 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.97 162.84 28.92 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.349 2.033 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.71 -49.33 77.98 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.978 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -146.9 -170.73 3.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . 0.405 ' H ' HH12 ' A' ' 25' ' ' ARG . . . 60.04 21.12 10.27 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.845 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.408 HH12 ' H ' ' D' ' 24' ' ' ALA . 99.6 mtt180 -57.58 -41.71 81.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.049 0.452 . . . . 0.0 110.453 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -37.32 85.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.5 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -66.23 -46.05 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.376 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -42.75 89.83 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -57.63 -38.65 75.35 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.406 -1.724 . . . . 0.0 108.441 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.7 -44.24 86.76 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.18 -46.49 88.72 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.949 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.3 -44.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.566 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -60.74 -45.67 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.309 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.57 -40.86 98.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.668 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.62 -36.49 84.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.22 -40.13 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.37 -41.1 93.02 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.437 ' CD1' ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.79 -42.95 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 40' ' ' ILE . 60.0 m -60.06 -49.24 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.049 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.8 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.159 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.976 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -62.58 -37.44 86.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 24.8 mt -60.89 -41.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.64 -38.11 80.51 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 46.9 mm -64.38 -42.69 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.66 -43.11 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.37 -42.89 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.277 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -64.87 -38.5 91.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.26 -41.93 96.71 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.357 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -77.36 -8.39 57.6 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.7 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.27 -35.69 79.76 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.94 -26.55 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.329 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.03 -37.28 81.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.239 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -62.31 -52.29 64.26 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 7' ' ' LEU . 7.7 mp -56.81 -40.61 76.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.322 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -50.33 74.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.861 -179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -64.13 -33.03 74.85 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.825 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.71 89.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.978 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.31 -42.24 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.473 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.85 -44.87 94.97 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -56.27 -48.6 76.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.1 68.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 -21.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.071 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -123.45 -22.95 4.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.481 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 pt -72.78 -5.94 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.343 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.45 -4.14 32.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.333 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.431 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 56.0 mtt -58.81 -45.61 99.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.277 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 20' ' ' MET . 22.2 Cg_exo -57.71 147.67 78.83 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.61 1.54 . . . . 0.0 111.886 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -65.54 -39.79 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 0.0 109.695 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -91.8 19.42 6.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.612 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -48.47 69.66 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.67 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -50.99 -40.36 57.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -66.17 -44.24 84.6 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.992 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.68 -47.73 82.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 11.4 mt -63.79 -42.06 97.81 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 108.425 -0.954 . . . . 2.21 108.425 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.49 -41.43 80.7 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.651 -1.613 . . . . 2.05 107.854 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -43.06 99.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.304 -0.862 . . . . 2.47 110.041 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.11 -45.61 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.338 -0.545 . . . . 2.46 111.866 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -59.37 -52.98 63.3 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.099 -0.64 . . . . 2.51 109.825 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.95 -45.33 98.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.877 -0.601 . . . . 2.41 112.147 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.65 -48.07 80.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.056 -0.658 . . . . 2.27 109.97 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -60.72 -43.31 98.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.719 0.295 . . . . 2.33 110.759 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.224 0.535 . . . . 2.43 110.427 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.02 -40.69 96.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.312 -0.858 . . . . 2.3 109.798 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.49 -45.54 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.777 -0.823 . . . . 2.06 108.777 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 mt -58.08 -41.84 84.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 2.23 109.846 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.8 mt -63.61 -43.54 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.423 -0.511 . . . . 2.44 109.683 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.4 m -60.32 -47.56 85.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.546 -0.909 . . . . 2.39 108.546 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -59.97 -43.35 95.14 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.782 0.325 . . . . 2.18 110.277 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.0 -42.13 89.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.739 -0.664 . . . . 2.29 109.266 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.1 mt -65.34 -42.28 93.04 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.272 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.69 -47.67 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.27 -0.641 . . . . 2.47 109.27 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -58.17 -43.72 87.59 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.756 -0.656 . . . . 2.55 109.928 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.71 -38.23 82.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.979 -0.555 . . . . 2.2 110.629 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.6 mt -62.88 -45.17 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 108.869 -0.789 . . . . 2.31 108.869 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.33 -45.55 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.721 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.37 -42.23 96.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.079 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.33 -28.05 61.85 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.53 -1.224 . . . . 0.0 109.183 179.644 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -77.62 -9.3 58.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.68 -35.26 77.47 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.9 m -60.2 -26.57 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.94 -37.08 81.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.406 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -63.41 -46.23 87.36 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mp -62.31 -40.65 96.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.062 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 70.6 m -61.78 -44.75 96.26 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -65.33 -41.77 93.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.306 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -64.26 -32.63 74.29 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.25 87.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.183 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 23.2 mt -63.17 -42.65 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.321 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.07 -40.3 95.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -60.17 -46.34 90.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.3 69.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.936 -0.705 . . . . 0.0 112.49 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 -22.05 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.869 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -123.49 -22.93 4.9 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.445 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 pt -72.82 -6.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.434 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.37 -4.12 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.469 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' MET . . . . . 0.433 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 56.2 mtt -58.89 -45.44 99.6 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.189 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' B' ' 20' ' ' MET . 21.7 Cg_exo -58.03 147.66 81.32 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.608 1.539 . . . . 0.0 111.71 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -65.54 -39.8 92.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -91.5 18.87 6.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.557 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.29 68.47 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.819 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -51.22 -39.89 57.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.945 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -66.47 -44.48 82.59 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.313 0.383 . . . . 0.0 110.896 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.3 -45.01 93.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.03 0.443 . . . . 0.0 111.563 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.18 -41.65 89.96 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -58.66 -38.49 78.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.539 -1.664 . . . . 0.0 108.425 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.82 -44.54 89.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.94 -44.75 88.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -60.99 -49.46 77.34 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.464 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.05 -44.94 95.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.945 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.48 -46.29 86.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.611 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.23 -43.08 99.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.26 -42.87 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.19 0.519 . . . . 0.0 110.286 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.65 -40.04 95.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.163 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.45 -43.32 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.41 -41.89 94.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.632 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.0 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.055 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.46 98.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.34 -41.37 98.86 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.074 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -64.64 -42.31 95.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.044 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.69 -43.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.147 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.84 -43.71 98.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.476 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.42 -40.6 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.306 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 18.4 mt -61.51 -43.76 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.447 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.53 -45.39 85.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.566 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.44 -42.28 96.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.191 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -28.53 62.51 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.207 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.723 -1.132 . . . . 0.0 109.51 179.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -77.69 -8.93 58.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.604 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.88 -35.28 77.85 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.98 -26.77 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.374 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -67.93 -37.16 81.32 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.34 -46.38 86.9 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.406 ' N ' HD12 ' C' ' 7' ' ' LEU . 7.6 mp -62.24 -40.52 96.44 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.974 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 71.6 m -62.04 -44.74 96.06 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.287 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -64.37 -32.8 74.56 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.816 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.08 87.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.103 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.47 -42.75 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.259 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.83 -39.84 95.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.173 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.5 -46.2 90.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.42 69.63 0.12 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.491 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.16 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.72 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -123.61 -23.0 4.84 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.421 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 36.9 pt -72.58 -6.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.33 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.25 -3.95 33.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' MET . . . . . 0.429 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 56.8 mtt -59.1 -45.33 99.43 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.235 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' C' ' 20' ' ' MET . 22.4 Cg_exo -58.03 148.1 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.661 1.574 . . . . 0.0 111.663 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.87 -40.23 91.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -91.14 19.39 5.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.588 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.71 -48.56 69.46 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -51.17 -39.94 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.816 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.022 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.34 -45.56 90.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.021 0.439 . . . . 0.0 111.545 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.65 -41.84 92.11 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.46 -38.39 77.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.352 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.04 -44.47 88.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.539 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -44.59 88.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.2 -49.35 77.53 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.599 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.28 -44.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.86 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.43 -46.54 85.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.567 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -61.87 -43.53 98.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.15 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.08 -42.7 96.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.128 0.49 . . . . 0.0 110.153 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.61 -40.31 96.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.16 -43.33 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.454 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.33 -41.95 94.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.728 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.99 -43.32 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.03 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.78 98.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.589 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.0 -41.58 99.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.46 -42.62 99.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.54 -42.38 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.39 -44.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.931 0.396 . . . . 0.0 110.141 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.74 -43.53 98.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.8 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.271 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 17.8 mt -61.51 -43.84 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.265 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.6 t -67.52 -45.2 85.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.564 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 73.0 mtm -64.58 -42.01 95.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.191 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.26 -28.93 62.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.112 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.475 179.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mtp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -77.63 -8.52 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.295 0.569 . . . . 0.0 109.696 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.18 -35.35 78.56 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.232 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 m -59.94 -26.85 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.331 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.85 -37.32 81.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.392 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.402 ' N ' HD12 ' D' ' 7' ' ' LEU . 7.6 mp -61.89 -40.74 96.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.076 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.1 m -61.73 -44.93 95.95 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -65.09 -42.05 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.267 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 87.4 p -63.89 -32.94 74.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.267 0.556 . . . . 0.0 109.876 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.02 87.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.126 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 24.3 mt -63.56 -42.65 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.398 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.84 -40.22 96.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.099 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.3 -46.05 91.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.52 69.49 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.99 -22.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.626 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -123.56 -22.66 4.95 Favored 'General case' 0 N--CA 1.46 0.073 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.431 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 pt -72.91 -5.94 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.54 -3.77 32.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.472 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' MET . . . . . 0.427 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 56.3 mtt -59.13 -45.43 99.38 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.178 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' D' ' 20' ' ' MET . 22.2 Cg_exo -57.9 147.84 79.32 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.711 1.607 . . . . 0.0 111.79 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -65.73 -40.02 91.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -91.5 19.75 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.39 70.28 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -51.29 -40.1 58.24 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.48 -0.488 . . . . 0.0 109.752 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -66.26 -44.29 84.03 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.36 -45.39 91.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.439 . . . . 0.0 111.528 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.7 -41.78 91.95 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.44 -38.66 77.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.385 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.75 -44.43 90.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.618 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.26 -44.54 87.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.19 -49.29 77.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.514 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.15 -45.05 95.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.935 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.41 -46.55 85.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -61.73 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.23 -42.82 96.39 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.295 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.44 -40.35 96.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.99 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.502 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.32 -41.78 94.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.565 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.33 -43.15 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.077 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.19 -43.57 98.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.488 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.08 -41.7 99.48 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.51 -42.47 98.85 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.54 -42.37 95.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.034 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.9 mm -63.53 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.82 -43.37 98.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.513 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.99 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.18 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 18.3 mt -61.6 -43.81 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.37 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.49 -45.4 85.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.566 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 73.3 mtm -64.27 -42.25 96.53 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.24 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -28.76 62.35 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.211 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.273 179.627 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -77.54 -8.68 58.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 109.668 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.1 -35.13 77.76 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.15 -26.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.34 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -67.84 -37.4 81.84 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.25 -46.56 86.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.21 -40.55 96.48 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 71.4 m -61.71 -44.87 96.09 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -65.32 -41.63 93.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 92.3 p -64.31 -32.75 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.677 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.3 88.09 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.197 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 23.7 mt -63.23 -42.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.409 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.093 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.17 -45.93 91.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.37 69.29 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.497 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.96 -21.99 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -123.43 -22.89 4.94 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.465 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 pt -72.86 -5.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.739 0.304 . . . . 0.0 111.372 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.54 -4.05 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' MET . . . . . 0.422 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 56.3 mtt -58.88 -45.65 99.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.115 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' E' ' 20' ' ' MET . 22.1 Cg_exo -57.86 147.6 80.34 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.634 1.556 . . . . 0.0 111.825 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -65.49 -39.76 92.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -91.85 19.5 6.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.573 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.62 -48.35 69.41 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -51.26 -40.09 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.966 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -66.4 -44.3 83.39 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 123.277 0.361 . . . . 0.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -63.31 -45.64 90.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 111.449 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.49 -41.81 92.85 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.5 -38.59 78.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.394 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.73 -44.36 90.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.722 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.29 -44.62 87.41 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.206 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -61.02 -49.24 78.22 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.443 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.32 -44.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.987 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.45 -46.51 85.91 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.48 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -62.07 -43.27 99.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.079 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.12 -42.71 96.75 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.286 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.66 -40.18 96.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.16 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.16 -43.72 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 61.8 mt -60.35 -41.78 94.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.573 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.11 -43.57 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 83.7 m -62.0 -43.45 98.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.34 -41.32 98.87 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.056 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 43.9 mt -61.74 -42.53 99.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 57.1 mt -64.43 -42.58 95.95 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.033 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.43 -44.03 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.87 -43.54 98.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.509 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.78 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.233 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 18.5 mt -61.67 -43.5 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.433 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.73 -45.21 85.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.567 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.45 -42.29 96.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.128 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.0 -28.6 62.46 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.232 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.482 179.66 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.3 -15.58 60.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 109.499 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.73 -43.47 98.78 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.662 0.744 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.23 -27.25 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.177 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -39.59 89.45 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.517 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -64.49 -44.1 92.05 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.583 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 7' ' ' LEU . 7.6 mp -62.13 -41.11 97.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.4 m -60.26 -48.2 82.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -59.7 -41.59 91.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.0 t -59.57 -38.08 80.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.151 0.5 . . . . 0.0 109.654 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.35 -38.82 88.49 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.707 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mt -64.76 -42.94 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.519 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -63.46 -36.34 83.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.465 0.65 . . . . 0.0 109.295 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.85 -42.3 97.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.106 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.74 70.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.66 -52.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.241 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.58 -31.22 21.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.0 pt -74.17 -15.93 16.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -106.12 26.94 9.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.762 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -52.31 159.66 1.5 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.23 -33.74 66.35 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 122.356 2.037 . . . . 0.0 111.835 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.23 160.66 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.27 108.53 0.62 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.429 0.633 . . . . 0.0 110.967 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.28 -25.32 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HE ' ' NE2' ' E' ' 26' ' ' GLN . 60.8 mtp85 -61.76 -40.57 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.495 ' NE2' ' HE ' ' B' ' 25' ' ' ARG . 8.4 pt20 -65.89 -25.34 67.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.331 0.586 . . . . 0.0 110.653 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -72.85 -37.7 67.33 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.192 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.27 -49.24 70.33 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.191 0.52 . . . . 2.3 110.845 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.85 -37.59 87.42 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.144 -1.058 . . . . 1.89 108.144 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.03 -47.96 83.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.686 -0.806 . . . . 2.54 110.096 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.19 -42.93 83.35 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.032 -0.667 . . . . 2.52 111.287 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.82 -44.49 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 118.375 0.534 . . . . 2.39 112.069 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.59 -44.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.576 -0.45 . . . . 2.51 109.928 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.42 -44.3 97.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.15 109.44 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.567 -0.288 . . . . 2.1 111.425 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.78 -35.31 80.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 119.85 -0.74 . . . . 2.65 109.816 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 mt -65.99 -39.01 89.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.91 -0.586 . . . . 2.28 109.801 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 mm -61.86 -44.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.452 -0.944 . . . . 1.9 108.452 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.26 -42.16 76.95 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.379 -0.6 . . . . 2.31 109.379 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.516 HG13 ' SG ' ' E' ' 41' ' ' CYS . 28.7 mt -63.16 -43.04 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 108.92 -0.77 . . . . 2.39 108.92 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' HG13 ' B' ' 40' ' ' ILE . 61.6 m -58.87 -50.82 72.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.131 -0.692 . . . . 2.35 109.131 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.39 -43.21 96.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.968 0.413 . . . . 2.37 110.569 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.94 -41.63 92.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.658 -0.701 . . . . 2.2 109.43 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.43 -39.52 94.71 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.271 -0.64 . . . . 2.21 109.271 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.62 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.346 -0.983 . . . . 2.47 108.346 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.6 m -62.09 -37.32 84.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.468 -0.787 . . . . 2.39 109.982 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.3 -41.21 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.972 0.415 . . . . 2.19 109.966 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.98 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.856 -0.794 . . . . 2.38 108.856 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.55 -44.34 98.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.545 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.3 mmm -65.1 -42.15 94.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.649 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.6 -25.35 59.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.004 0.43 . . . . 0.0 110.069 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.817 -1.087 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.15 -16.05 61.06 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 121.71 0.767 . . . . 0.0 109.466 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.761 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.71 -27.62 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.852 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.51 90.87 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.644 -0.823 . . . . 0.0 109.705 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.99 -42.17 94.76 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.767 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.413 ' N ' HD11 ' B' ' 7' ' ' LEU . 7.5 mp -63.56 -40.84 98.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 70.7 m -61.73 -43.39 98.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.88 -41.25 97.78 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.622 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 8.8 t -60.24 -38.01 82.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.149 0.5 . . . . 0.0 109.819 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.6 85.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.712 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.09 -43.63 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.342 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.54 -35.51 80.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 0.0 109.557 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.77 -41.2 97.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.178 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.97 70.52 0.32 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.84 -52.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.369 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.31 -31.64 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 20.0 pt -74.08 -15.6 16.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.587 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -106.5 27.32 8.9 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.627 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -52.75 159.46 1.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -52.7 -33.85 61.45 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.361 2.04 . . . . 0.0 111.742 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.7 159.87 21.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.34 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.54 109.19 0.65 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -175.32 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.048 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.495 ' HE ' ' NE2' ' A' ' 26' ' ' GLN . 61.8 mtp85 -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.28 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.502 ' NE2' ' HE ' ' C' ' 25' ' ' ARG . 8.5 pt20 -66.05 -28.49 68.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.226 0.536 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.47 -37.55 74.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.559 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.49 -49.94 69.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.213 0.53 . . . . 0.0 110.43 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.99 -33.94 76.86 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.32 -49.4 75.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.45 -40.69 89.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.43 81.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -44.6 92.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.226 0.536 . . . . 0.0 109.777 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.18 -46.43 85.78 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.45 -37.23 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.815 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.02 -39.38 93.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.771 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 mm -62.14 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 92.2 mt -58.95 -41.72 88.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.504 HG13 ' SG ' ' A' ' 41' ' ' CYS . 29.2 mt -63.15 -42.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.182 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' CYS . . . . . 0.511 ' SG ' HG13 ' C' ' 40' ' ' ILE . 61.5 m -60.14 -48.05 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.702 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.51 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.08 -41.67 98.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.7 mt -63.11 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.8 mt -62.92 -42.85 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 95.6 m -62.77 -37.11 85.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.717 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.01 -43.08 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.01 -42.43 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.152 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.1 -43.75 97.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.796 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -66.1 -41.68 90.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.216 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -24.58 58.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.137 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.603 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.414 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.05 -16.05 60.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 109.56 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.99 -42.61 99.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.89 -27.27 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.664 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.547 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.45 -42.26 92.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.42 ' N ' HD11 ' C' ' 7' ' ' LEU . 7.6 mp -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 76.3 m -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.97 -40.87 97.4 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.753 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 9.0 t -60.52 -37.88 82.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.81 85.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.672 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.1 mt -65.13 -43.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.122 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -63.67 -35.9 82.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.287 0.565 . . . . 0.0 109.501 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.22 -41.5 96.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.416 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.6 69.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.09 -52.58 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.319 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -86.53 -31.48 21.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.154 0.502 . . . . 0.0 109.9 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 19.9 pt -74.18 -15.61 16.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.634 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -106.73 27.93 8.41 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.614 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -53.34 159.62 2.12 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -53.06 -33.29 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.44 2.093 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -64.95 160.1 21.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.215 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.78 109.04 0.65 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.177 0.513 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.93 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.148 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ARG . . . . . 0.502 ' HE ' ' NE2' ' B' ' 26' ' ' GLN . 61.2 mtp85 -62.99 -40.42 97.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' GLN . . . . . 0.483 ' NE2' ' HE ' ' D' ' 25' ' ' ARG . 8.1 pt20 -66.01 -27.6 68.24 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -71.06 -37.91 72.49 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.517 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.08 -49.82 70.78 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.07 -33.94 76.9 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -62.33 -49.34 76.01 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.537 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.43 -40.65 89.62 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.902 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.66 -48.49 80.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.119 0.485 . . . . 0.0 110.7 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.92 -44.51 92.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.12 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.224 0.535 . . . . 0.0 109.805 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.51 -46.1 87.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.53 -37.33 87.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.832 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 mt -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.85 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.01 -41.52 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.09 -41.78 88.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' ILE . . . . . 0.511 HG13 ' SG ' ' B' ' 41' ' ' CYS . 28.4 mt -63.05 -42.51 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' CYS . . . . . 0.517 ' SG ' HG13 ' D' ' 40' ' ' ILE . 62.3 m -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.764 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -62.99 -41.61 99.62 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.383 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -41.45 98.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.428 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -63.18 -39.31 94.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.46 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.06 -42.66 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.07 -36.91 85.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.768 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.23 -43.18 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.89 -42.66 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.79 -43.6 97.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 85.9 mmm -66.05 -41.95 90.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.63 -24.95 58.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.215 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.43 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.92 -15.84 60.05 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 121.752 0.787 . . . . 0.0 109.453 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.14 -42.46 99.27 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.798 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -27.05 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.822 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -39.41 89.23 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.525 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -65.09 -42.1 94.37 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.729 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.417 HD11 ' N ' ' D' ' 7' ' ' LEU . 7.5 mp -63.47 -40.98 98.54 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.18 -40.81 96.9 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.556 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -60.8 -37.89 83.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 109.856 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.97 85.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.7 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mt -65.0 -43.2 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.242 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.89 -35.99 82.47 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.394 0.616 . . . . 0.0 109.494 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -61.41 -41.68 97.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.192 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.21 70.19 0.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.33 -52.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.289 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.17 -31.38 21.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.054 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 19.9 pt -74.48 -15.61 16.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.489 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.44 27.33 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.616 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.72 159.4 1.76 Allowed Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.727 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -52.86 -33.37 60.91 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.467 2.111 . . . . 0.0 111.782 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.79 160.3 20.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -58.02 109.08 0.67 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.77 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.997 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' ARG . . . . . 0.483 ' HE ' ' NE2' ' C' ' 26' ' ' GLN . 61.0 mtp85 -62.25 -40.57 96.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.256 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' GLN . . . . . 0.481 ' NE2' ' HE ' ' E' ' 25' ' ' ARG . 8.3 pt20 -65.82 -27.92 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.441 0.639 . . . . 0.0 110.72 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.88 -37.97 73.07 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.99 -50.23 69.38 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.346 0.593 . . . . 0.0 110.581 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -61.79 -49.23 77.18 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.724 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.56 -40.62 89.11 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.964 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.47 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.146 0.498 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.02 -44.49 92.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.32 -43.26 99.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.396 0.617 . . . . 0.0 109.725 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -58.39 -46.16 86.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.2 m -64.67 -37.03 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.731 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 34.2 mt -64.37 -39.26 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.858 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.14 -41.34 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.03 -41.81 88.71 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' ILE . . . . . 0.517 HG13 ' SG ' ' C' ' 41' ' ' CYS . 28.1 mt -63.11 -42.68 97.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' E' ' 40' ' ' ILE . 61.9 m -60.64 -47.39 86.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.76 -41.92 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.424 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.03 -41.55 98.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.429 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.02 -39.35 94.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.45 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 26.3 mt -62.98 -42.68 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.96 -36.96 85.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.26 -43.04 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.92 -42.51 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.232 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.21 -43.91 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.755 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.6 -42.0 92.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.46 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.59 -25.24 59.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.048 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.426 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.93 -15.78 59.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.679 0.752 . . . . 0.0 109.448 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.05 -42.81 99.58 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.8 -27.29 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.887 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -39.29 89.55 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.431 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.12 -42.2 94.16 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.772 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.415 HD11 ' N ' ' E' ' 7' ' ' LEU . 7.5 mp -63.57 -41.08 98.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -61.58 -43.07 99.54 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.02 -41.33 97.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.511 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -60.14 -38.29 82.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.123 0.487 . . . . 0.0 109.689 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.79 85.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.801 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.93 -43.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.336 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -63.69 -35.74 81.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.355 0.598 . . . . 0.0 109.559 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.854 -1.067 . . . . 0.0 112.244 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.32 71.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.21 -52.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.34 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -86.16 -31.38 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.118 0.485 . . . . 0.0 110.004 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 19.5 pt -74.39 -15.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.47 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.49 27.5 8.72 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.723 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.86 159.61 1.75 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.694 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -52.9 -33.59 62.37 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.458 2.106 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.94 160.21 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.339 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.75 108.91 0.63 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.76 -23.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.036 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 25' ' ' ARG . . . . . 0.481 ' HE ' ' NE2' ' D' ' 26' ' ' GLN . 61.9 mtp85 -62.88 -40.44 97.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.216 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 26' ' ' GLN . . . . . 0.497 ' NE2' ' HE ' ' A' ' 25' ' ' ARG . 8.4 pt20 -65.8 -28.57 69.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 0.0 110.454 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -70.33 -37.67 74.74 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.39 -49.53 71.21 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.313 0.577 . . . . 0.0 110.635 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.49 -33.78 76.67 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.83 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.31 -49.12 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.534 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.71 -40.64 88.53 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.778 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.54 -48.26 81.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.19 -44.33 91.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.31 -43.13 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.329 0.585 . . . . 0.0 109.673 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -58.63 -46.3 87.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.62 -37.07 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.16 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.21 -41.51 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.91 -41.62 87.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 40' ' ' ILE . . . . . 0.523 HG13 ' SG ' ' D' ' 41' ' ' CYS . 29.3 mt -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 41' ' ' CYS . . . . . 0.516 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.1 m -61.0 -47.4 86.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.762 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.83 -41.66 98.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.18 -39.34 94.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -62.72 -42.85 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.81 -37.24 85.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.93 -43.01 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.0 -42.38 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.16 -43.53 97.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 86.7 mmm -66.04 -41.86 90.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.358 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -24.9 58.65 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.415 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.64 -32.81 71.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.792 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -66.47 -47.05 74.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.249 0.547 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 18.4 mt -66.04 -44.19 85.35 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.56 -0.904 . . . . 2.25 108.56 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.48 -42.2 74.03 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 113.564 -1.653 . . . . 1.9 107.57 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.59 -41.2 98.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.35 -1.296 . . . . 2.57 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.62 -46.27 76.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.466 -0.494 . . . . 2.39 112.177 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -59.1 -40.08 84.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 120.332 -0.547 . . . . 2.41 110.82 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.86 -43.97 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.762 -0.654 . . . . 2.39 109.686 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.04 -44.32 96.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.155 -0.475 . . . . 2.16 110.084 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.99 -43.64 98.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.66 0.267 . . . . 2.22 111.094 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 75.3 m -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.169 -0.612 . . . . 2.6 109.569 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 40' ' ' ILE . 57.4 mt -67.42 -38.92 85.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 2.29 109.635 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.36 -45.75 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.076 -1.083 . . . . 1.97 108.076 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.3 mt -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 2.32 109.215 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' E' ' 44' ' ' LEU . 32.1 mt -63.7 -42.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.973 -0.751 . . . . 2.34 108.973 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' HG13 ' B' ' 40' ' ' ILE . 74.2 m -58.32 -47.58 83.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.84 -0.8 . . . . 2.32 108.84 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.21 -43.31 99.08 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.027 -0.36 . . . . 2.31 110.027 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' E' ' 44' ' ' LEU . 18.9 mt -59.1 -42.03 89.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.059 -0.518 . . . . 2.23 109.726 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD1' HG23 ' B' ' 40' ' ' ILE . 55.6 mt -64.63 -39.31 93.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.222 -0.659 . . . . 2.27 109.222 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.96 -44.53 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 108.374 -0.972 . . . . 2.48 108.374 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -63.16 -35.03 78.94 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.12 -0.945 . . . . 2.41 110.459 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.86 -40.17 83.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.031 0.443 . . . . 2.2 110.763 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.72 -42.07 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 115.381 -0.827 . . . . 2.4 109.558 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.28 -47.93 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.647 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.41 -46.4 88.77 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.518 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.37 -37.95 74.67 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.879 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.543 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.29 -33.14 71.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -66.49 -46.0 77.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.438 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 mt -66.99 -44.11 81.25 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.38 -39.35 72.81 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.135 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -65.41 -43.64 89.96 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.48 -44.26 91.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.46 -43.61 96.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.64 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.78 -44.03 96.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.244 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.46 -43.84 97.86 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.85 -43.82 98.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 79.8 m -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.441 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' B' ' 40' ' ' ILE . 59.1 mt -65.5 -38.63 90.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.8 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.24 -42.18 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.32 91.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.549 HG23 ' CD1' ' A' ' 44' ' ' LEU . 31.4 mt -63.79 -42.53 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' C' ' 40' ' ' ILE . 73.0 m -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.71 -41.59 99.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.909 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -61.49 -42.13 98.32 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.536 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' C' ' 40' ' ' ILE . 52.3 mt -64.33 -39.02 93.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.14 -44.06 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -63.66 -35.02 79.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.178 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.09 -43.17 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.77 -42.71 96.83 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.739 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.39 -45.82 81.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.46 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 40.5 mmm -63.6 -47.04 83.07 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.29 -38.09 74.93 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.025 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.571 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.476 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.66 -33.05 72.25 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -66.63 -46.2 76.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.364 0.602 . . . . 0.0 110.263 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.55 -44.44 82.37 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.22 -39.62 72.79 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 113.696 -1.593 . . . . 0.0 108.074 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -65.0 -43.73 91.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.52 -44.21 91.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.51 -43.55 96.97 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.573 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.99 -44.1 96.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.166 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.3 -43.98 97.58 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.532 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 77.2 m -63.91 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' C' ' 40' ' ' ILE . 59.0 mt -65.74 -38.6 89.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.871 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.44 -42.24 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.24 -40.41 90.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' B' ' 44' ' ' LEU . 32.1 mt -63.88 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' D' ' 40' ' ' ILE . 73.5 m -59.57 -45.17 92.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.51 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.82 -41.47 99.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.965 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' B' ' 44' ' ' LEU . 17.8 mt -61.71 -42.11 98.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.634 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 40' ' ' ILE . 54.5 mt -64.21 -39.22 93.52 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.241 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.23 -43.87 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.66 -35.09 79.39 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.377 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.07 -43.06 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.029 0.442 . . . . 0.0 110.237 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.72 -42.88 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.65 0.738 . . . . 0.0 109.707 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.8 t -68.13 -45.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.495 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.9 mmm -63.84 -46.7 83.83 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.039 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.63 -38.01 73.84 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.036 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.493 -179.764 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -60.41 -33.2 72.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -66.51 -45.94 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.293 0.568 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.8 -44.31 81.57 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.22 -39.65 72.83 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 113.549 -1.659 . . . . 0.0 108.096 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -65.09 -43.76 91.03 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.41 -44.38 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.26 -43.6 96.0 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.996 -0.681 . . . . 0.0 109.685 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.95 -44.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.293 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.44 -43.84 97.84 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.204 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.99 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 77.3 m -64.06 -40.68 96.79 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.541 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' D' ' 40' ' ' ILE . 59.3 mt -65.85 -38.94 90.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.817 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.94 -42.31 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.33 -40.35 90.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 44' ' ' LEU . 33.2 mt -63.7 -42.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.509 ' SG ' HG13 ' E' ' 40' ' ' ILE . 72.9 m -59.64 -45.23 92.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.537 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.07 -41.52 99.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.923 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' C' ' 44' ' ' LEU . 17.9 mt -61.31 -42.39 98.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.602 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.556 ' CD1' HG23 ' E' ' 40' ' ' ILE . 54.3 mt -63.93 -39.32 93.89 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.256 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.11 -43.9 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.9 m -63.75 -34.95 79.04 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.27 -43.14 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.63 -42.83 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-O 121.541 0.686 . . . . 0.0 109.661 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.25 -45.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.565 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 40.9 mmm -63.8 -46.89 83.13 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.45 -38.08 74.43 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.002 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.219 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.579 -179.656 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.3 -33.23 72.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -66.39 -46.11 77.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.578 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.72 -44.26 82.06 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -56.28 -39.38 72.58 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.116 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.549 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.56 -44.17 91.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.51 -43.37 97.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.656 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.22 -43.93 95.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.42 -43.96 97.57 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.185 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -61.82 -43.59 98.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.754 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 82.4 m -64.2 -40.77 96.78 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.406 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.5 mt -65.72 -38.87 90.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.755 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.79 -42.31 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.31 -40.55 90.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' D' ' 44' ' ' LEU . 32.7 mt -63.85 -42.31 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' A' ' 40' ' ' ILE . 73.0 m -59.61 -45.41 92.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.71 -41.51 99.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.072 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 17.6 mt -61.61 -42.12 98.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.53 ' CD1' HG23 ' A' ' 40' ' ' ILE . 54.9 mt -64.22 -39.17 93.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.13 -44.18 99.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.41 -35.11 79.33 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.368 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.28 -43.02 88.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 0.0 110.164 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.63 -42.91 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 CA-C-O 121.699 0.761 . . . . 0.0 109.739 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.23 -46.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.519 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 41.3 mmm -63.68 -46.83 83.74 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.898 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.19 -38.34 75.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.977 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.596 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.56 -179.679 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 . . . . . 0 CA--C 1.517 -0.312 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -61.85 -32.38 72.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.252 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -67.8 -45.37 74.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.253 0.549 . . . . 0.0 109.612 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 17.0 mt -66.0 -44.54 84.5 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 108.706 -0.85 . . . . 2.24 108.706 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.28 -41.41 75.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.572 -1.649 . . . . 1.91 107.649 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.77 -40.61 97.12 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.188 -1.369 . . . . 2.57 111.245 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.38 -46.8 72.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.353 -0.539 . . . . 2.41 111.665 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -58.92 -41.27 86.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.472 -0.491 . . . . 2.42 110.725 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.12 -43.41 85.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.888 -0.596 . . . . 2.4 109.836 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.91 -44.65 96.35 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.497 -0.481 . . . . 2.16 110.352 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.025 -0.27 . . . . 2.21 110.953 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.7 m -63.6 -38.95 93.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.208 -0.597 . . . . 2.61 109.605 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 40.9 mt -68.2 -38.86 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.537 -0.756 . . . . 2.3 109.435 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.03 -45.97 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.347 -0.983 . . . . 1.98 108.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.4 -41.16 75.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.794 -0.639 . . . . 2.29 109.39 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.531 HG23 ' CD1' ' E' ' 44' ' ' LEU . 27.9 mt -62.54 -42.85 97.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.305 -0.628 . . . . 2.31 109.305 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.0 m -57.64 -46.5 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.694 -0.854 . . . . 2.31 108.694 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.98 -44.19 97.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.817 -0.438 . . . . 2.32 109.817 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' E' ' 44' ' ' LEU . 55.1 mt -59.56 -42.48 92.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 2.25 109.665 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 40' ' ' ILE . 42.2 mt -63.75 -40.31 96.41 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.241 -0.651 . . . . 2.3 109.241 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.76 -43.71 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.383 -0.969 . . . . 2.48 108.383 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.87 -35.31 79.59 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.81 -38.7 82.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.055 0.455 . . . . 2.21 110.718 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.57 -41.78 86.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.895 0.855 . . . . 2.38 109.359 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.42 -47.27 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.574 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.7 mmm -62.55 -47.13 85.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.63 -38.65 80.68 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.652 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.387 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.147 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -66.78 -44.4 81.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.436 0.636 . . . . 0.0 110.428 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 18.0 mt -65.75 -45.14 83.69 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.34 -38.7 74.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.396 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -65.22 -43.78 90.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.58 -44.81 89.49 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.395 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.45 -44.18 96.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.75 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.73 -43.42 93.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.357 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.34 -44.55 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.23 -42.73 99.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -63.64 -41.56 98.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 40' ' ' ILE . 41.7 mt -65.68 -38.51 89.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.999 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.49 -41.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.27 -40.18 89.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 44' ' ' LEU . 27.9 mt -63.01 -42.71 97.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.49 ' SG ' HG13 ' C' ' 40' ' ' ILE . 64.3 m -58.91 -43.49 91.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.988 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.21 -42.32 99.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.698 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' C' ' 40' ' ' ILE . 44.7 mt -63.48 -40.64 97.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.48 -44.05 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.14 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.95 -42.6 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-O 120.961 0.41 . . . . 0.0 110.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.9 -42.85 97.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 109.498 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.42 -46.27 83.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.297 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.016 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.55 -39.27 81.13 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.114 0.483 . . . . 0.0 109.727 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.595 -179.582 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.83 -34.46 74.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.994 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -66.71 -44.42 81.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.211 0.529 . . . . 0.0 110.356 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.85 -44.98 83.87 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.22 -38.61 74.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.404 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -65.26 -44.02 89.44 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.58 -44.58 90.24 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.411 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.19 -44.48 95.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.761 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.71 -43.54 93.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.27 -44.48 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.32 -42.64 99.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.75 -41.41 98.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' C' ' 40' ' ' ILE . 43.4 mt -65.62 -39.04 91.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.899 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.81 -42.35 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.79 -40.56 88.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.5 mt -62.63 -43.01 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.502 ' SG ' HG13 ' D' ' 40' ' ' ILE . 64.2 m -58.69 -43.51 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.01 -42.25 99.77 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.07 -42.38 99.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' D' ' 40' ' ' ILE . 43.6 mt -63.37 -40.83 98.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.25 -43.71 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.94 -35.5 80.34 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.77 -42.53 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.003 0.43 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.0 -42.61 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.646 0.736 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.74 -46.08 83.25 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.8 mmm -63.36 -47.42 82.2 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.79 -38.71 80.16 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.139 0.495 . . . . 0.0 109.746 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.748 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.552 -179.638 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.71 -34.47 74.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.084 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.74 -44.4 81.62 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.36 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.91 -44.8 84.14 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.48 -38.44 74.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.633 -1.622 . . . . 0.0 108.431 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.52 -43.93 88.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.389 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.32 -44.66 90.86 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.13 -44.71 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.668 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.35 -43.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' D' ' 34' ' ' ASN . 7.3 m120 -62.55 -44.33 96.6 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.279 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.41 -42.7 99.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.88 -41.31 97.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' D' ' 40' ' ' ILE . 43.3 mt -65.75 -38.82 90.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.81 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.96 -42.36 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.81 -40.5 88.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' C' ' 44' ' ' LEU . 29.0 mt -62.69 -42.91 97.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.505 ' SG ' HG13 ' E' ' 40' ' ' ILE . 64.7 m -58.87 -43.53 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.9 -42.22 99.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.02 -42.34 99.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.718 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' E' ' 40' ' ' ILE . 43.9 mt -63.51 -40.87 98.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.16 -43.82 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.7 m -63.03 -35.33 79.89 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.64 -42.6 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 121.072 0.463 . . . . 0.0 110.234 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.89 -42.82 97.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 109.506 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.69 -46.02 83.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.352 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.48 -47.31 82.32 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.003 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.96 -38.53 79.46 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.439 -179.644 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.49 -34.58 74.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.113 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -66.64 -44.39 82.07 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.336 0.589 . . . . 0.0 110.362 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.75 -45.28 83.19 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -56.79 -38.99 73.3 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.49 -1.686 . . . . 0.0 108.401 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -65.01 -44.02 90.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.488 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.46 -44.78 90.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.12 -44.45 94.88 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.753 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.69 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.1 -44.58 96.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.43 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.31 -42.72 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 42.7 mt -65.48 -38.59 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.046 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.27 -41.94 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 mt -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.1 mt -62.96 -42.57 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.639 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.501 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.9 m -58.88 -43.61 90.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.04 -42.07 99.67 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' D' ' 44' ' ' LEU . 53.4 mt -62.18 -42.3 99.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.531 ' CD1' HG23 ' A' ' 40' ' ' ILE . 44.7 mt -63.38 -40.63 97.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.588 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.64 -43.88 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 86.5 m -62.78 -35.32 79.47 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.016 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.74 -42.62 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.194 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.93 -42.63 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-O 121.504 0.668 . . . . 0.0 109.674 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.03 83.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.471 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.33 -47.43 82.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.894 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.84 -39.21 80.08 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.65 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.678 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.544 ' HB2' HE22 ' E' ' 26' ' ' GLN . 21.2 tt0 -64.13 -34.19 77.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.745 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -65.45 -43.07 91.52 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.524 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -66.4 -44.25 83.53 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.667 -0.864 . . . . 2.22 108.667 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -56.08 -41.23 74.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 113.697 -1.592 . . . . 1.91 107.964 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.249 -1.341 . . . . 2.55 111.033 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.26 -45.63 76.09 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.208 -0.597 . . . . 2.44 112.137 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.05 -42.57 94.75 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.361 -0.536 . . . . 2.44 111.162 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.59 -43.18 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.067 -0.515 . . . . 2.43 109.977 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.29 -45.17 94.44 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.209 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.36 -42.25 99.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.665 -0.243 . . . . 2.18 110.681 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.99 -39.57 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.262 -0.575 . . . . 2.58 109.746 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 40' ' ' ILE . 34.9 mt -68.01 -38.26 82.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 2.33 109.805 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.2 -46.75 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.668 -0.864 . . . . 1.97 108.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.74 -40.54 75.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.835 -0.802 . . . . 2.31 108.835 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 37' ' ' LEU . 30.0 mt -62.4 -42.38 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.855 -0.794 . . . . 2.29 108.855 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' SG ' HG13 ' B' ' 40' ' ' ILE . 62.3 m -58.75 -46.63 86.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.769 -0.826 . . . . 2.31 108.769 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.39 -43.33 99.05 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 110.115 -0.328 . . . . 2.36 110.115 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.1 -42.18 94.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.263 -0.426 . . . . 2.23 109.999 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' B' ' 40' ' ' ILE . 40.8 mt -63.38 -38.96 93.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.249 -0.648 . . . . 2.27 109.249 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.23 -43.23 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.688 -0.856 . . . . 2.44 108.688 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.29 -35.2 79.59 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.234 -0.894 . . . . 2.38 110.036 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.9 mt -66.8 -40.86 86.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.237 0.541 . . . . 2.22 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.8 mt -67.51 -42.49 87.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.949 -1.023 . . . . 2.4 110.324 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.16 -48.93 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.754 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.466 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.0 mmm -62.36 -47.08 85.77 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.388 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 47' ' ' ILE . 8.9 mt -68.35 -38.8 81.81 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.1 mp . . . . . 0 N--CA 1.444 -0.728 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.55 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.526 HE22 ' HB2' ' C' ' 26' ' ' GLN . 20.6 tt0 -62.95 -38.28 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.097 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -63.03 -41.34 99.5 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.638 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.36 -44.29 79.38 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.2 -38.75 74.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.486 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.7 -45.18 87.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.352 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.19 -43.85 90.3 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.73 93.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.003 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.29 -43.52 95.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.16 -45.19 94.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.068 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.369 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 90.8 m -62.1 -42.45 99.23 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.606 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' B' ' 40' ' ' ILE . 34.3 mt -65.57 -38.2 88.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.137 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.93 -43.47 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.28 -40.23 85.43 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 37' ' ' LEU . 29.4 mt -62.54 -42.42 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' C' ' 40' ' ' ILE . 62.6 m -59.42 -43.82 93.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.59 -42.02 98.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 44' ' ' LEU . 50.7 mt -61.92 -41.8 98.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.945 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' C' ' 40' ' ' ILE . 39.6 mt -63.91 -39.31 93.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.05 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.96 -35.62 80.76 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 44' ' ' LEU . 13.0 mt -65.69 -44.12 93.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.02 0.438 . . . . 0.0 110.088 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' C' ' 47' ' ' ILE . 77.6 mt -64.24 -43.15 97.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.87 -46.62 78.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.496 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' A' ' 52' ' ' LEU . 82.4 mmm -64.09 -47.55 79.61 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.973 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.415 HD12 HG23 ' B' ' 47' ' ' ILE . 9.3 mt -68.32 -39.4 81.98 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.039 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.646 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 CA--C 1.517 -0.308 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 26' ' ' GLN . . . . . 0.528 HE22 ' HB2' ' D' ' 26' ' ' GLN . 20.9 tt0 -62.9 -37.87 88.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.274 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -63.23 -41.48 99.11 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.555 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.39 -44.12 79.67 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -38.89 74.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.624 -1.626 . . . . 0.0 108.471 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -64.74 -44.96 88.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.445 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.22 -43.48 91.35 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -61.24 -45.56 94.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.91 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.44 -43.51 94.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ASN . . . . . 0.415 HD21 ' HA ' ' C' ' 34' ' ' ASN . 7.4 m120 -62.34 -45.31 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 92.0 m -62.27 -42.17 99.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.552 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' C' ' 40' ' ' ILE . 32.9 mt -65.7 -38.16 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.04 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.04 -43.21 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.48 -40.22 86.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' C' ' 37' ' ' LEU . 29.5 mt -62.46 -42.63 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.0 m -59.24 -43.96 92.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.45 -42.19 98.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.98 -41.76 98.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' D' ' 40' ' ' ILE . 39.6 mt -63.64 -39.32 94.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.0 -43.38 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -62.94 -35.76 81.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' C' ' 44' ' ' LEU . 12.0 mt -65.59 -44.12 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.24 -43.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.82 -46.7 78.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.405 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.5 mmm -63.83 -47.37 81.07 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.121 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.43 HD12 HG23 ' C' ' 47' ' ' ILE . 9.3 mt -68.53 -39.02 81.34 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.014 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.434 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 CA--C 1.518 -0.275 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 26' ' ' GLN . . . . . 0.528 ' HB2' HE22 ' C' ' 26' ' ' GLN . 20.9 tt0 -62.8 -38.05 89.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.212 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -63.07 -41.56 99.46 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.628 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.34 -44.18 79.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.18 -38.6 73.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.602 -1.635 . . . . 0.0 108.673 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.83 -45.05 87.77 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.25 -43.6 90.82 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.21 -45.6 93.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.831 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.44 -43.44 94.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' D' ' 34' ' ' ASN . 7.4 m120 -62.26 -45.6 92.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.76 -42.83 99.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.484 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.22 -42.22 99.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.609 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.1 mt -65.78 -37.93 87.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.35 -43.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.51 -40.08 85.94 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' D' ' 37' ' ' LEU . 29.2 mt -62.77 -42.41 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.461 ' SG ' HG13 ' E' ' 40' ' ' ILE . 62.1 m -59.49 -43.56 93.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.735 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.63 -41.95 98.21 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.164 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.16 -41.79 98.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.956 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.578 ' CD1' HG23 ' E' ' 40' ' ' ILE . 40.8 mt -63.78 -39.34 94.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -62.99 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.13 -35.63 80.92 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.025 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' D' ' 44' ' ' LEU . 12.1 mt -65.6 -44.21 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.058 0.456 . . . . 0.0 110.189 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' E' ' 47' ' ' ILE . 76.4 mt -64.23 -43.22 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.71 -46.58 79.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.609 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.477 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.8 mmm -64.07 -47.56 79.65 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.967 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.418 HD12 HG23 ' D' ' 47' ' ' ILE . 9.3 mt -68.36 -38.8 81.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.128 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.72 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.423 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 26' ' ' GLN . . . . . 0.544 HE22 ' HB2' ' A' ' 26' ' ' GLN . 20.7 tt0 -63.01 -38.25 90.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.343 -1.298 . . . . 0.0 111.31 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -62.94 -41.26 99.44 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.556 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -67.53 -44.46 78.33 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.12 -38.7 73.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.582 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -64.61 -45.39 87.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.451 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.93 -43.76 91.7 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.64 93.93 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.024 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.46 -43.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.31 -45.43 93.25 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.03 -42.86 99.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 92.4 m -62.14 -42.19 99.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.626 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.9 mt -65.68 -38.15 88.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.95 -43.41 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -40.38 86.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.6 mt -62.46 -42.52 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.3 m -59.35 -43.85 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.41 -42.04 98.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.09 -41.72 98.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.573 ' CD1' HG23 ' A' ' 40' ' ' ILE . 39.7 mt -63.84 -39.41 94.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.91 -43.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.83 -35.87 81.37 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.085 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' E' ' 44' ' ' LEU . 12.4 mt -65.61 -44.18 93.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.914 0.388 . . . . 0.0 110.125 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.1 -43.23 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.333 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.9 -46.65 78.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.464 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.464 ' HB3' HD13 ' D' ' 52' ' ' LEU . 82.6 mmm -64.01 -47.5 80.03 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.076 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 51' ' ' LEU . . . . . 0.424 HD12 HG23 ' E' ' 47' ' ' ILE . 9.4 mt -68.33 -39.26 82.0 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.109 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.444 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.671 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 CA--C 1.517 -0.301 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.97 -38.74 92.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -64.16 -43.44 95.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.229 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.49 -44.1 97.68 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.962 -0.755 . . . . 1.94 108.962 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' A' ' 33' ' ' ILE . 10.1 tt0 -61.19 -40.04 92.44 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.809 -1.542 . . . . 2.5 108.284 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -63.77 -44.46 93.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.045 -0.98 . . . . 2.32 110.471 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.36 -47.0 77.96 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.885 -0.726 . . . . 2.3 111.708 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 6.1 t80 -59.87 -52.44 65.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.39 -0.924 . . . . 2.6 109.978 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' HG2' ' A' ' 29' ' ' GLN . 88.0 mt -62.61 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.504 -0.479 . . . . 2.3 111.529 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -58.97 -52.23 66.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.094 -0.642 . . . . 2.3 109.904 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.8 -43.25 80.75 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.392 -0.367 . . . . 2.59 110.904 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HB3' HD22 ' E' ' 37' ' ' LEU . 98.9 m -67.01 -37.41 84.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.57 -0.452 . . . . 2.08 111.179 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' B' ' 36' ' ' CYS . 25.5 mt -60.76 -42.43 97.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.952 -0.758 . . . . 2.1 108.952 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.83 -43.96 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 109.247 -0.649 . . . . 2.45 109.247 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.01 -42.53 99.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.833 -0.347 . . . . 2.36 110.818 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.32 -42.55 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.887 -0.783 . . . . 2.28 108.887 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.33 -43.79 98.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.97 -0.752 . . . . 2.23 108.97 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 45' ' ' ILE . 62.6 mt -61.98 -41.92 98.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.73 -0.214 . . . . 2.18 110.493 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.41 -43.24 96.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.963 -0.754 . . . . 2.45 108.963 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 2.36 110.151 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 42' ' ' LEU . 24.6 mt -61.92 -43.59 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.202 -0.666 . . . . 2.22 109.202 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -39.3 86.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.351 -0.611 . . . . 2.27 109.351 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.39 -42.09 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.799 -0.637 . . . . 2.26 109.821 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.78 -44.26 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 N-CA-C 108.77 -0.826 . . . . 2.55 108.77 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.1 t -60.01 -44.81 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.237 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.539 ' SD ' HD13 ' E' ' 52' ' ' LEU . 73.6 mtm -63.98 -41.6 97.47 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.85 -41.86 95.35 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.826 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.533 HD13 ' SD ' ' B' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.694 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.11 -41.28 99.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -63.23 -40.18 96.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.189 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.54 -44.24 94.78 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' B' ' 33' ' ' ILE . 10.2 tt0 -61.79 -38.33 87.68 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.836 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -64.88 -45.6 85.31 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.986 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.09 -45.01 86.99 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.408 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 6.5 t80 -62.37 -49.92 73.64 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.364 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' B' ' 29' ' ' GLN . 86.0 mt -64.63 -44.14 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.841 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.87 -47.85 83.18 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.499 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.21 -42.93 99.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.227 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 99.3 m -66.37 -38.18 86.99 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.341 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' C' ' 36' ' ' CYS . 25.9 mt -60.16 -42.27 94.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' B' ' 38' ' ' ILE . 28.7 mm -64.1 -43.5 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.323 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.06 -42.54 99.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.47 -42.85 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.78 -42.85 99.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.355 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' B' ' 45' ' ' ILE . 64.4 mt -62.51 -41.21 98.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.4 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.41 -39.63 92.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.017 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 42' ' ' LEU . 23.8 mt -62.25 -42.86 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.07 -38.98 88.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.625 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.72 -41.8 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.24 -44.61 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.901 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.533 ' SD ' HD13 ' A' ' 52' ' ' LEU . 73.6 mtm -64.33 -41.36 96.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.367 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.01 -41.76 95.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.668 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.534 HD13 ' SD ' ' C' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.759 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -63.38 -41.41 98.78 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -63.13 -40.09 96.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.318 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.59 -44.24 94.58 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' C' ' 33' ' ' ILE . 10.2 tt0 -61.78 -38.42 87.97 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 113.535 -1.666 . . . . 0.0 108.836 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -64.72 -45.73 85.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.028 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 -44.9 88.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.266 -0.573 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.421 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 6.5 t80 -62.63 -49.76 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' C' ' 29' ' ' GLN . 86.2 mt -64.69 -44.15 96.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -61.81 -47.98 82.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.07 -42.94 99.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.549 ' HB3' HD22 ' B' ' 37' ' ' LEU . 99.1 m -66.38 -38.44 87.55 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' D' ' 36' ' ' CYS . 25.4 mt -59.97 -42.16 93.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.18 -43.45 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.17 -42.49 99.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.747 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.5 -42.85 97.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.77 -42.86 99.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.529 ' HA ' HD12 ' C' ' 45' ' ' ILE . 63.6 mt -62.5 -41.16 98.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.42 -43.42 98.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.25 -39.59 92.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.122 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.3 mt -62.4 -42.73 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.2 m -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -42.93 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.664 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.69 -41.83 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.407 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.34 -44.63 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.045 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.534 ' SD ' HD13 ' B' ' 52' ' ' LEU . 73.5 mtm -64.13 -41.68 97.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.73 -41.96 95.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.531 HD13 ' SD ' ' D' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.907 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.34 -41.32 98.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.418 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -63.16 -40.11 96.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.254 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.66 -44.12 94.73 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 122.031 0.919 . . . . 0.0 108.541 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' D' ' 33' ' ' ILE . 10.2 tt0 -61.89 -38.42 88.26 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.891 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -64.65 -45.77 85.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.087 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.88 -44.85 88.33 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 6.5 t80 -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.429 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' D' ' 29' ' ' GLN . 86.3 mt -64.7 -44.28 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.682 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -61.71 -48.0 82.75 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.504 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.15 -42.69 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.317 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.539 ' HB3' HD22 ' C' ' 37' ' ' LEU . 96.9 m -66.57 -38.45 87.1 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' E' ' 36' ' ' CYS . 25.7 mt -59.78 -42.16 92.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 28.8 mm -64.32 -43.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.12 -42.49 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.54 -42.81 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.91 -42.91 99.64 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.5 mt -62.33 -41.09 98.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.47 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.36 -39.58 92.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.151 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' D' ' 42' ' ' LEU . 23.9 mt -62.29 -42.83 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -61.14 -38.93 88.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.27 -42.81 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.676 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.77 -41.87 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.388 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.28 -44.65 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.018 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.531 ' SD ' HD13 ' C' ' 52' ' ' LEU . 73.6 mtm -64.11 -41.7 97.15 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.65 -42.06 95.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' E' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.853 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 CA--C 1.518 -0.266 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.11 -41.18 99.3 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.612 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -63.31 -40.16 96.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.233 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.6 -44.12 94.92 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' E' ' 33' ' ' ILE . 10.1 tt0 -61.97 -38.29 87.98 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.873 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -64.8 -45.67 85.26 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.01 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.91 -44.9 88.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 6.4 t80 -62.59 -49.67 74.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' E' ' 29' ' ' GLN . 86.0 mt -64.9 -44.15 96.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.91 -47.8 83.31 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.479 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -42.93 99.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -66.5 -38.31 86.98 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.546 HD22 ' HB3' ' A' ' 36' ' ' CYS . 26.0 mt -60.05 -42.31 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.0 -43.5 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.18 -42.38 99.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.59 -42.81 97.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.77 -42.9 99.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.407 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' E' ' 45' ' ' ILE . 64.2 mt -62.43 -41.22 98.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.24 -43.48 98.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.3 -39.64 92.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.082 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' E' ' 42' ' ' LEU . 23.9 mt -62.34 -42.94 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.96 -39.02 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.22 -42.86 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.75 -41.82 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.26 -44.69 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.523 ' SD ' HD13 ' D' ' 52' ' ' LEU . 73.6 mtm -64.2 -41.5 97.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.92 -41.72 95.33 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.674 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.539 HD13 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.807 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HE ' HD21 ' E' ' 27' ' ' ASN . 81.8 mtt85 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.06 -39.93 95.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.486 HD21 ' HE ' ' B' ' 25' ' ' ARG . 91.7 m-20 -65.71 -43.35 89.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -62.64 -44.96 94.96 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.365 0.602 . . . . 1.88 109.918 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.18 -36.68 84.44 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.649 -1.159 . . . . 2.17 108.841 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.127 -0.942 . . . . 2.6 110.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.25 -47.94 59.12 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.422 -0.511 . . . . 2.37 110.192 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -55.87 -43.24 76.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.002 0.43 . . . . 2.42 111.798 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG12 HG21 ' E' ' 33' ' ' ILE . 94.1 mt -71.16 -43.18 75.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.013 -0.994 . . . . 2.3 110.374 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.35 -49.62 76.88 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.922 -0.581 . . . . 2.2 110.879 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.0 -37.43 85.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.616 -0.434 . . . . 2.49 110.612 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 m -64.4 -41.18 96.78 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.067 -0.653 . . . . 2.48 109.522 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 29.2 mt -66.61 -36.04 81.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.598 -1.183 . . . . 2.02 109.57 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.0 -45.14 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.327 -0.99 . . . . 2.06 108.327 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.71 -40.24 87.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 2.5 109.445 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.644 HG22 HD12 ' B' ' 40' ' ' ILE . 37.3 mm -63.36 -42.27 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.377 -0.971 . . . . 2.29 108.377 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.0 m -60.5 -46.53 89.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.052 -0.721 . . . . 2.18 109.052 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.42 -42.55 99.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.019 -0.363 . . . . 2.37 110.019 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.65 -42.23 92.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 2.32 109.966 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.7 -36.6 84.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.228 -0.442 . . . . 2.2 110.198 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.5 -42.24 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.572 -0.899 . . . . 2.3 108.572 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.03 -37.83 86.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 2.18 109.617 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 47' ' ' ILE . 36.7 mm -64.17 -42.58 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.19 -0.671 . . . . 2.32 109.19 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' B' ' 47' ' ' ILE . 87.2 mt -63.1 -41.79 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 108.882 -0.785 . . . . 2.72 108.882 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.76 -43.97 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.762 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.465 ' CE ' HD22 ' E' ' 52' ' ' LEU . 87.8 mmm -63.12 -41.09 99.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.16 -37.84 88.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD22 ' CE ' ' B' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.875 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.486 ' HE ' HD21 ' A' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.514 -0.422 0 CA-C-O 121.346 0.593 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.77 -43.06 99.79 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.517 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.497 HD21 ' HE ' ' C' ' 25' ' ' ARG . 93.8 m-20 -64.19 -40.93 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.109 0.48 . . . . 0.0 110.215 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.98 -45.08 90.64 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.482 0.658 . . . . 0.0 109.354 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -63.84 -35.88 82.09 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.223 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.98 -44.04 93.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.52 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.15 -44.54 75.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.385 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.54 -48.29 79.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.089 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.424 HG21 HG12 ' C' ' 33' ' ' ILE . 97.0 mt -67.6 -43.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.175 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.28 -49.36 77.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.72 -37.83 87.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.44 -44.38 94.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.5 -43.01 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.65 -40.09 93.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 40' ' ' ILE . 37.6 mm -63.37 -42.3 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' C' ' 40' ' ' ILE . 71.1 m -61.05 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.87 98.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.59 -42.27 98.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.682 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.94 -35.99 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.07 -42.31 92.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.89 -37.69 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.614 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 47' ' ' ILE . 36.7 mm -64.21 -42.96 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.419 HG13 HD11 ' C' ' 47' ' ' ILE . 87.4 mt -62.65 -41.67 93.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.05 -43.85 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.481 ' CE ' HD22 ' A' ' 52' ' ' LEU . 87.9 mmm -63.12 -41.05 99.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.254 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.27 -37.99 88.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.48 HD22 ' CE ' ' C' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.864 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ARG . . . . . 0.497 ' HE ' HD21 ' B' ' 27' ' ' ASN . 81.8 mtt85 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.58 -42.89 99.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.485 HD21 ' HE ' ' D' ' 25' ' ' ARG . 93.9 m-20 -64.38 -40.84 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.27 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 11.7 mt -63.98 -45.17 90.24 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.435 0.636 . . . . 0.0 109.307 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -63.71 -36.12 82.8 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.187 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -63.71 -44.3 94.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.01 -44.52 76.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.362 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.55 -48.3 79.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.011 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.424 HG12 HG21 ' B' ' 33' ' ' ILE . 97.1 mt -67.54 -43.11 87.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.14 -49.32 78.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -65.8 -37.71 87.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.208 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.58 -44.56 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.2 -35.64 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.39 -42.91 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.62 -40.1 93.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.633 HD12 HG22 ' B' ' 40' ' ' ILE . 37.6 mm -63.36 -42.33 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.464 ' SG ' HD11 ' D' ' 40' ' ' ILE . 72.0 m -61.31 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.5 -40.53 97.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.05 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.78 -42.39 98.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.754 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.82 -36.09 82.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.332 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.27 92.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.79 -37.8 85.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.602 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.491 HD12 HG22 ' B' ' 47' ' ' ILE . 37.0 mm -64.17 -42.97 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' D' ' 47' ' ' ILE . 87.7 mt -62.63 -41.71 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.92 -43.75 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.48 ' CE ' HD22 ' B' ' 52' ' ' LEU . 87.5 mmm -63.3 -40.94 98.73 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.35 -37.76 88.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE ' ' D' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.567 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' ARG . . . . . 0.485 ' HE ' HD21 ' C' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.8 -43.01 99.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.474 HD21 ' HE ' ' E' ' 25' ' ' ARG . 94.0 m-20 -64.3 -40.88 96.83 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.246 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 11.6 mt -63.98 -45.15 90.36 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.66 -36.17 82.96 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.227 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -63.73 -44.41 93.63 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.58 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.96 -44.41 76.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.378 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.66 -48.11 80.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.959 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.438 HG21 HG12 ' E' ' 33' ' ' ILE . 97.2 mt -67.69 -43.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.32 -48.97 79.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -66.04 -37.84 86.88 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.198 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.58 -44.57 93.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.14 -35.71 81.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.047 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.31 -42.93 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.59 -40.14 93.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.63 HG22 HD12 ' E' ' 40' ' ' ILE . 37.9 mm -63.39 -42.35 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.471 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.4 m -61.22 -45.2 95.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.542 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.53 -40.7 97.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.39 98.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.709 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.7 -36.32 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.254 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.92 -42.23 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 81.3 m -61.92 -37.74 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.559 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.472 HD12 HG22 ' C' ' 47' ' ' ILE . 37.0 mm -64.18 -42.91 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' E' ' 47' ' ' ILE . 86.3 mt -62.72 -41.6 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.06 -43.75 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.487 ' CE ' HD22 ' C' ' 52' ' ' LEU . 87.7 mmm -63.26 -40.87 98.64 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.238 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.46 -37.77 87.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.484 HD22 ' CE ' ' E' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.834 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 25' ' ' ARG . . . . . 0.474 ' HE ' HD21 ' D' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.516 -0.365 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.54 -43.39 98.94 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.51 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.489 HD21 ' HE ' ' A' ' 25' ' ' ARG . 93.8 m-20 -64.04 -40.82 97.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.213 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 11.7 mt -63.92 -45.3 89.86 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.206 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.8 -44.56 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.409 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.5 -48.34 79.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.438 HG12 HG21 ' D' ' 33' ' ' ILE . 97.3 mt -67.7 -43.05 86.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.072 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.28 -49.3 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -65.82 -37.81 87.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.61 -44.29 94.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.42 -35.56 81.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.043 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.43 -43.09 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.53 -40.08 93.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.63 HD12 HG22 ' D' ' 40' ' ' ILE . 37.6 mm -63.42 -42.32 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' ' 40' ' ' ILE . 71.8 m -61.09 -45.47 94.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.596 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -40.72 98.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.084 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.24 98.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.73 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.99 -36.03 82.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.36 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.91 -37.56 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.477 HG22 HD12 ' A' ' 47' ' ' ILE . 36.5 mm -64.3 -42.99 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.411 HG13 HD11 ' A' ' 47' ' ' ILE . 87.0 mt -62.61 -41.64 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.02 -43.88 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.777 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.484 ' CE ' HD22 ' D' ' 52' ' ' LEU . 87.2 mmm -63.07 -41.0 99.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.39 -37.92 88.44 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.908 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.698 HE22 ' HB3' ' E' ' 26' ' ' GLN . 8.9 mm100 -66.9 -35.0 79.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.268 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -64.03 -42.83 96.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.67 -45.87 81.25 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 119.967 -0.693 . . . . 2.02 109.682 -179.567 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.72 -40.75 69.54 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 114.522 -1.217 . . . . 2.01 108.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.455 -1.248 . . . . 2.64 111.036 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.79 -48.6 63.24 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.374 -0.531 . . . . 2.4 111.766 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -58.41 -40.03 81.32 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.523 -0.471 . . . . 2.38 111.251 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -68.24 -43.56 84.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.521 -0.763 . . . . 2.3 109.927 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.7 -46.21 89.19 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.596 -0.441 . . . . 2.2 110.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -62.66 -42.73 99.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.82 -0.352 . . . . 2.4 110.277 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 88.8 m -62.84 -39.26 93.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.448 -0.501 . . . . 2.52 109.805 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' B' ' 36' ' ' CYS . 25.5 mt -65.99 -38.27 88.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.1 109.975 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.24 -43.69 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.919 -0.771 . . . . 1.99 108.919 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.49 -40.47 82.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.33 -0.619 . . . . 2.44 109.33 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.553 HG22 HD12 ' B' ' 40' ' ' ILE . 37.2 mm -63.29 -42.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.664 -0.865 . . . . 2.39 108.664 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' SG ' HD11 ' B' ' 40' ' ' ILE . 73.4 m -60.62 -45.05 95.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.943 -0.762 . . . . 2.18 108.943 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.7 -43.06 99.58 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.669 0.271 . . . . 2.23 110.574 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.99 -42.78 90.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 2.35 109.133 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.55 -39.07 93.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.593 . . . . 2.27 109.617 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.39 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.795 -0.817 . . . . 2.37 108.795 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.95 -39.33 89.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.572 . . . . 2.32 109.669 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.13 -41.63 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.645 -0.707 . . . . 2.13 110.147 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.576 HG23 ' SD ' ' B' ' 50' ' ' MET . 80.0 mt -64.18 -44.22 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.561 -0.745 . . . . 2.66 109.176 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.2 -44.66 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.957 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.522 ' SD ' HG23 ' E' ' 48' ' ' ILE . 47.2 mtt -64.08 -39.1 93.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.226 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.82 -38.77 92.1 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.994 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.091 0.472 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.681 ' HB3' HE22 ' C' ' 26' ' ' GLN . 9.2 mm100 -66.31 -36.96 84.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.012 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.24 -39.35 94.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.45 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -68.75 -45.76 70.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.021 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.79 -40.14 69.15 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.095 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -63.81 -44.65 92.66 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.464 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -45.04 87.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.76 -43.97 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.769 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.27 -43.57 95.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.63 -47.2 84.79 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.987 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.05 -43.91 98.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 37' ' ' LEU . 76.2 m -61.7 -41.6 97.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.62 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.9 mt -64.21 -38.34 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -62.16 -42.12 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.98 -40.36 88.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.553 HD12 HG22 ' A' ' 40' ' ' ILE . 37.4 mm -63.17 -42.54 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.463 ' SG ' HD11 ' C' ' 40' ' ' ILE . 74.0 m -61.11 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.735 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.09 -41.57 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.18 -42.24 98.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.75 -39.04 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.553 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.27 -39.15 89.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.87 -42.83 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.05 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.9 mt -63.47 -42.62 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.631 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.84 -44.67 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.613 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.576 ' SD ' HG23 ' A' ' 48' ' ' ILE . 46.7 mtt -64.11 -38.83 92.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.183 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.98 -39.09 92.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.184 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 121.098 0.475 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 26' ' ' GLN . . . . . 0.681 HE22 ' HB3' ' B' ' 26' ' ' GLN . 9.2 mm100 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.078 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.401 ' O ' HD13 ' C' ' 31' ' ' LEU . 22.5 m120 -63.33 -39.2 93.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.482 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.417 ' N ' HD23 ' C' ' 28' ' ' LEU . 0.6 OUTLIER -68.69 -45.82 70.65 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.047 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.93 -40.0 69.43 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.036 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -63.87 -44.65 92.46 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.501 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' LEU . . . . . 0.401 HD13 ' O ' ' C' ' 27' ' ' ASN . 7.5 mp -65.22 -44.95 86.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -60.74 -44.25 96.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.586 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.09 -43.66 95.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.487 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.63 -46.88 86.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.458 ' HB2' HD13 ' B' ' 37' ' ' LEU . 82.7 m -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.714 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.5 mt -64.42 -38.19 90.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mm -62.39 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.04 -40.2 88.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.529 HG22 HD12 ' D' ' 40' ' ' ILE . 36.8 mm -63.36 -42.53 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' D' ' 40' ' ' ILE . 74.0 m -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.709 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.95 -41.38 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.35 -41.89 97.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.25 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.571 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.45 -43.0 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.52 -39.03 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -64.97 -42.76 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.546 HG23 ' SD ' ' D' ' 50' ' ' MET . 81.7 mt -63.54 -42.72 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.642 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.61 -44.87 99.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' B' ' 48' ' ' ILE . 46.3 mtt -63.97 -39.08 93.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.22 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.79 -38.93 92.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.292 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.179 0.514 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 26' ' ' GLN . . . . . 0.679 HE22 ' HB3' ' C' ' 26' ' ' GLN . 9.3 mm100 -66.18 -37.21 85.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.26 -39.39 94.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.488 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.417 HD23 ' N ' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -68.69 -45.59 71.26 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.077 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -54.82 -40.3 69.42 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.95 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -63.54 -44.93 92.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.56 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.86 -44.96 88.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.754 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.03 -43.67 95.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.7 -46.64 87.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.097 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.46 -43.48 98.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.456 ' HB2' HD13 ' C' ' 37' ' ' LEU . 85.3 m -62.18 -41.41 98.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.666 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' E' ' 36' ' ' CYS . 27.1 mt -64.33 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.368 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.26 -41.92 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.28 -40.06 89.08 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 40' ' ' ILE . 37.2 mm -63.52 -42.45 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.462 ' SG ' HD11 ' E' ' 40' ' ' ILE . 73.8 m -61.25 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.655 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.47 -42.06 98.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.94 -38.9 92.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.627 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.37 -43.01 97.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.53 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.91 -42.78 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.957 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' E' ' 50' ' ' MET . 81.9 mt -63.55 -42.65 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.743 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.69 -44.8 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.608 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.546 ' SD ' HG23 ' C' ' 48' ' ' ILE . 46.8 mtt -64.02 -39.05 93.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.77 -38.9 92.54 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.178 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.07 0.462 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 26' ' ' GLN . . . . . 0.698 ' HB3' HE22 ' A' ' 26' ' ' GLN . 9.2 mm100 -66.46 -37.09 84.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.111 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -63.23 -39.68 95.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.427 HD23 ' N ' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -68.3 -45.78 72.1 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -54.8 -40.32 69.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.965 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -63.48 -45.2 91.87 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.73 -44.91 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.55 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.24 -43.51 95.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -62.56 -46.72 87.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -61.43 -43.78 98.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD13 ' D' ' 37' ' ' LEU . 76.3 m -61.89 -41.67 98.16 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.354 -0.539 . . . . 0.0 109.633 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 26.8 mt -64.22 -38.24 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.313 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mm -62.29 -42.02 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.13 -40.26 89.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.525 HG22 HD12 ' A' ' 40' ' ' ILE . 37.3 mm -63.23 -42.4 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 40' ' ' ILE . 74.4 m -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.756 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.19 -41.46 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.76 -39.03 93.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.49 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.42 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.04 -42.79 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 50' ' ' MET . 81.2 mt -63.41 -42.65 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.608 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.83 -44.64 99.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.648 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.554 ' SD ' HG23 ' D' ' 48' ' ' ILE . 47.2 mtt -64.03 -39.03 93.18 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.75 -39.17 93.18 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.982 0.42 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -67.98 -42.52 80.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 28' ' ' LEU . 12.5 mt -64.14 -46.59 83.41 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.193 -0.669 . . . . 1.9 109.193 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -58.93 -38.62 79.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.551 -1.204 . . . . 2.19 108.357 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -64.27 -40.21 95.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.707 -1.133 . . . . 2.65 109.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.8 -47.75 65.33 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.426 -0.51 . . . . 2.34 111.263 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.81 -40.34 83.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.386 -0.526 . . . . 2.37 111.241 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.14 -43.69 81.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 2.3 109.955 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.23 -46.53 88.43 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.428 -0.509 . . . . 2.29 110.168 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -63.22 -43.36 98.33 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.188 -0.205 . . . . 2.47 110.652 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 93.7 m -63.57 -39.28 93.99 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.386 -0.526 . . . . 2.42 110.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 ' HB2' ' B' ' 36' ' ' CYS . 27.8 mt -65.57 -39.14 91.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.349 -0.841 . . . . 2.01 109.437 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.1 -44.91 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.891 -0.781 . . . . 2.19 108.891 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.63 -38.13 86.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.659 -0.497 . . . . 2.56 109.659 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.94 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.723 -0.844 . . . . 2.26 108.723 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.74 -40.63 95.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.029 -0.987 . . . . 1.99 109.391 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.67 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.881 -0.414 . . . . 2.34 109.881 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.256 -0.646 . . . . 2.54 109.256 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.97 -39.21 94.0 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.761 -0.654 . . . . 2.24 109.486 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -58.78 -41.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.446 -0.946 . . . . 2.22 108.446 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.73 -36.57 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 2.11 109.294 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.91 -42.73 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 2.27 109.298 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.84 -43.74 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 109.038 -0.727 . . . . 2.92 109.038 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -60.92 -45.22 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.297 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 88.1 mmm -63.67 -40.47 96.9 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.39 -38.71 92.0 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -64.34 -33.12 75.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.981 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' B' ' 26' ' ' GLN . 86.6 m-20 -66.09 -41.28 90.88 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.21 -47.56 79.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -59.26 -37.01 76.56 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.933 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.92 -44.4 85.26 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.16 -44.97 96.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.09 -43.74 95.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.654 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -62.52 -46.7 87.22 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.977 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -62.22 -43.75 98.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.475 ' HB2' HD13 ' A' ' 37' ' ' LEU . 90.7 m -63.49 -41.68 98.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.785 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 36' ' ' CYS . 30.2 mt -63.38 -39.4 94.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.987 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.97 -43.14 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.78 -38.66 91.5 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.72 -42.64 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.05 -39.99 94.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.959 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -41.57 99.57 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.79 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.08 -43.43 98.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.15 -36.94 85.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.78 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.78 -41.33 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.68 -36.31 78.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.9 -42.76 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.459 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.96 -44.94 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.107 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.69 -40.53 97.03 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.221 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.39 -38.61 91.65 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 26' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -64.01 -32.9 74.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.986 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' C' ' 26' ' ' GLN . 86.6 m-20 -66.39 -41.29 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.409 -0.517 . . . . 0.0 109.713 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 13.2 mt -64.36 -46.85 81.62 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.83 -36.7 77.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.896 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -65.13 -43.28 92.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.338 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.14 -44.5 84.0 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.12 -45.09 96.09 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.712 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.93 -43.84 96.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -62.39 -46.88 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.045 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.14 -43.7 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.562 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' B' ' 37' ' ' LEU . 91.9 m -63.49 -41.73 98.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.762 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' D' ' 36' ' ' CYS . 28.7 mt -63.46 -39.27 94.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.92 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -43.15 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.82 -38.77 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.53 -42.52 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 96.4 m -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.943 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.12 -41.59 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.713 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 60.2 mt -63.02 -43.43 98.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.1 -37.17 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.6 -41.35 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.62 -36.74 79.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.56 -43.3 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.69 -42.75 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.469 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.98 -45.0 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.085 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.8 -40.41 96.58 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.37 -38.8 92.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.037 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 26' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -63.7 -32.79 74.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.026 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' D' ' 26' ' ' GLN . 86.5 m-20 -66.28 -41.31 90.02 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.227 0.537 . . . . 0.0 109.784 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 13.4 mt -64.39 -47.08 80.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.71 -36.96 77.6 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.81 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -64.79 -43.33 93.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.416 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.21 -44.38 84.04 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -61.19 -44.98 96.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.675 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.04 -43.88 95.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.32 -46.92 86.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.93 -43.99 97.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' C' ' 37' ' ' LEU . 92.1 m -63.34 -41.75 98.89 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.791 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' E' ' 36' ' ' CYS . 29.1 mt -63.39 -39.26 94.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.06 -43.33 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.72 -38.73 91.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.63 -42.64 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.26 -39.49 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.97 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.99 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.31 -37.08 85.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.56 -41.52 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.48 -36.59 78.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.73 -43.1 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.89 -42.72 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.84 -44.9 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.85 -40.49 96.68 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.199 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.31 -38.75 92.15 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' D' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 . . . . . 0 CA--C 1.52 -0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 26' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -63.87 -33.11 74.95 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.073 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' E' ' 26' ' ' GLN . 86.2 m-20 -66.2 -41.53 90.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.433 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 13.2 mt -63.98 -47.19 81.34 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.62 -37.28 78.2 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.808 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -64.5 -43.48 93.99 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.384 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.11 -44.35 84.6 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.05 -45.04 96.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.803 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.11 -43.83 95.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.697 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.29 -46.83 86.99 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -62.09 -43.83 97.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.469 ' HB2' HD13 ' D' ' 37' ' ' LEU . 85.0 m -63.41 -41.82 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.77 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 29.8 mt -63.45 -39.15 93.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.069 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.23 -43.16 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.59 -42.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.2 -39.82 94.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.05 -41.69 99.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.784 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.05 -43.34 98.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.31 -36.78 84.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.8 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.87 -41.29 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 70.7 m -60.74 -36.53 79.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.55 -43.12 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.92 -44.95 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.167 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.2 mmm -63.78 -40.55 96.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.188 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.37 -38.73 92.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.922 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.48 -42.89 70.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.001 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.53 -50.81 72.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.153 0.502 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 11.8 mt -63.19 -39.86 95.86 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.786 -0.82 . . . . 2.05 108.786 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.36 -39.42 75.95 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.245 -1.343 . . . . 2.12 108.211 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -64.24 -41.25 97.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.997 -1.001 . . . . 2.53 110.455 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.35 -47.11 71.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.25 -0.58 . . . . 2.43 111.686 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -60.03 -42.58 94.7 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.442 -0.503 . . . . 2.53 111.323 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 HD12 ' A' ' 37' ' ' LEU . 86.2 mt -69.92 -44.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.8 -0.636 . . . . 2.32 110.943 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -62.71 -48.48 79.06 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.275 -0.57 . . . . 2.21 110.357 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -61.26 -42.0 97.88 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.834 -0.346 . . . . 2.46 110.319 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' CB ' HD13 ' E' ' 37' ' ' LEU . 2.8 m -64.91 -41.71 95.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.104 0.478 . . . . 2.45 110.766 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 33' ' ' ILE . 34.5 mt -66.1 -38.97 89.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.514 -0.766 . . . . 2.21 109.735 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 108.204 -1.036 . . . . 2.09 108.204 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.8 -41.93 87.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.271 -0.64 . . . . 2.3 109.271 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 37' ' ' LEU . 26.3 mt -64.15 -43.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.93 -47.83 84.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.485 -0.931 . . . . 2.4 108.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.66 -43.13 97.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.98 -0.378 . . . . 2.23 109.98 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' E' ' 44' ' ' LEU . 17.0 mt -58.88 -43.06 90.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.305 -0.628 . . . . 2.26 109.305 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' B' ' 43' ' ' LEU . 61.6 mt -64.31 -40.65 96.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.746 -0.661 . . . . 2.37 109.607 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.05 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.18 -0.674 . . . . 2.43 109.18 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -60.93 -37.92 83.97 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.61 -0.723 . . . . 2.46 110.064 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.45 -39.79 83.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.515 -0.766 . . . . 2.25 110.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.555 HG23 ' SD ' ' B' ' 50' ' ' MET . 66.4 mt -66.25 -43.12 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.703 0.763 . . . . 2.4 108.984 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.14 -44.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.494 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' E' ' 48' ' ' ILE . 34.1 mtt -63.69 -43.58 96.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.45 -38.95 78.01 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.256 0.551 . . . . 0.0 109.842 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.625 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.53 -42.93 70.57 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.89 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.82 -46.69 89.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.903 0.382 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.68 -39.45 88.13 Favored 'General case' 0 CA--C 1.493 -1.227 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.97 -37.95 75.14 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.649 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -64.79 -43.02 94.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.71 -45.65 81.96 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.072 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.43 HG22 HD12 ' B' ' 37' ' ' LEU . 90.5 mt -65.91 -44.36 92.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.723 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.12 -46.76 85.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.967 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.433 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.5 m -64.94 -43.99 90.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 40' ' ' ILE . 37.8 mt -64.08 -39.2 93.55 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.22 -42.52 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.0 -41.15 95.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' B' ' 37' ' ' LEU . 26.8 mt -64.39 -43.43 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.43 -41.05 98.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.892 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 44' ' ' LEU . 15.5 mt -61.24 -43.13 99.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.459 ' HB2' HD13 ' C' ' 43' ' ' LEU . 61.6 mt -63.84 -40.98 97.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.54 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.2 -44.15 99.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.51 -37.98 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.831 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.403 HG22 HD12 ' B' ' 51' ' ' LEU . 12.7 mt -66.27 -42.52 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.542 HG23 ' SD ' ' C' ' 50' ' ' MET . 67.7 mt -64.16 -42.27 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 CA-C-O 121.529 0.68 . . . . 0.0 109.535 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.15 -44.29 95.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.593 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.555 ' SD ' HG23 ' A' ' 48' ' ' ILE . 34.9 mtt -64.23 -43.35 95.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.758 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.403 HD12 HG22 ' B' ' 47' ' ' ILE . 8.5 mt -69.75 -39.32 76.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.255 0.55 . . . . 0.0 109.627 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.217 -0.61 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.613 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -70.48 -42.57 71.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.921 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.8 -46.85 88.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.183 0.516 . . . . 0.0 111.518 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.81 -39.51 87.74 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.87 -37.81 74.6 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.658 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -65.1 -43.07 93.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.58 -45.64 82.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.47 -47.43 86.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.289 -0.564 . . . . 0.0 109.998 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.454 HG22 HD12 ' C' ' 37' ' ' LEU . 92.3 mt -65.83 -44.23 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.729 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.07 -46.72 86.14 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.428 ' CB ' HD13 ' B' ' 37' ' ' LEU . 3.6 m -64.85 -43.87 91.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.164 0.507 . . . . 0.0 110.545 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.454 HD12 HG22 ' C' ' 33' ' ' ILE . 36.6 mt -64.19 -39.26 93.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.15 -42.57 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.93 -41.34 96.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' C' ' 37' ' ' LEU . 26.9 mt -64.38 -43.24 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.798 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.53 -44.79 96.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.09 -40.89 98.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.956 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' B' ' 44' ' ' LEU . 15.6 mt -61.46 -43.1 99.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.454 ' HB2' HD13 ' D' ' 43' ' ' LEU . 62.5 mt -63.94 -40.83 97.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.521 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.38 -44.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.8 -37.74 87.9 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.785 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.39 -42.39 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' D' ' 50' ' ' MET . 67.8 mt -64.23 -42.3 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 121.534 0.683 . . . . 0.0 109.524 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.17 -44.08 95.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.542 ' SD ' HG23 ' B' ' 48' ' ' ILE . 34.2 mtt -64.45 -43.43 94.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.69 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.51 -39.87 77.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.659 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.481 -179.659 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.73 -42.51 70.44 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.981 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.87 -46.66 89.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 111.492 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.07 -39.54 86.86 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.67 -37.74 73.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.631 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.07 -43.22 92.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.43 -45.64 83.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.54 -47.32 86.71 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.451 HG22 HD12 ' D' ' 37' ' ' LEU . 90.7 mt -65.82 -44.41 92.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.638 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.94 -46.77 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.57 -41.69 99.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.962 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.426 ' CB ' HD13 ' C' ' 37' ' ' LEU . 4.1 m -64.75 -43.82 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.451 HD12 HG22 ' D' ' 33' ' ' ILE . 36.9 mt -64.29 -39.29 93.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.917 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.22 -42.45 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.01 -41.29 96.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' D' ' 37' ' ' LEU . 26.6 mt -64.34 -43.34 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.804 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.15 -40.96 99.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.953 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' C' ' 44' ' ' LEU . 15.5 mt -61.44 -42.98 99.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.469 ' HB2' HD13 ' E' ' 43' ' ' LEU . 62.4 mt -64.0 -40.93 97.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.515 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.25 -44.01 99.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.612 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.83 -37.67 87.69 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.704 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.59 -42.37 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.541 HG23 ' SD ' ' E' ' 50' ' ' MET . 67.8 mt -64.13 -42.23 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.487 0.66 . . . . 0.0 109.544 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.19 -44.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.672 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.544 ' SD ' HG23 ' C' ' 48' ' ' ILE . 35.4 mtt -64.18 -43.43 95.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.779 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.73 -39.68 76.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.48 -179.752 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.41 -42.7 71.3 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.067 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.74 -46.86 88.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.969 0.414 . . . . 0.0 111.413 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.71 -39.62 88.1 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -57.85 -38.05 74.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.915 -1.493 . . . . 0.0 108.551 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.71 -43.14 94.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.894 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.56 -45.88 81.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.42 -47.26 86.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.04 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.44 HG22 HD12 ' E' ' 37' ' ' LEU . 91.8 mt -65.84 -44.33 92.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.794 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.05 -46.62 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.767 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.75 -41.44 99.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.429 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.6 m -64.85 -44.05 91.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.44 HD12 HG22 ' E' ' 33' ' ' ILE . 38.2 mt -64.21 -39.05 93.18 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.29 -42.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.83 -41.27 95.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.7 mt -64.49 -43.3 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.944 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -61.35 -44.63 96.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.3 -41.18 98.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.91 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' D' ' 44' ' ' LEU . 15.6 mt -61.24 -42.94 99.49 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 43' ' ' LEU . 61.2 mt -64.11 -41.02 97.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.418 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.11 -44.12 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.74 -37.78 87.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.819 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.3 -42.37 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.144 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' A' ' 50' ' ' MET . 68.4 mt -64.38 -42.08 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-O 121.468 0.652 . . . . 0.0 109.435 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -43.96 94.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.664 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.541 ' SD ' HG23 ' D' ' 48' ' ' ILE . 34.7 mtt -64.38 -43.57 94.07 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.57 -39.51 77.33 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 109.695 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.557 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 HH11 ' HB2' ' E' ' 27' ' ' ASN . 57.9 mtm180 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.58 -41.42 96.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -63.04 -46.68 86.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.324 0.583 . . . . 0.0 109.735 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.26 -41.98 96.69 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 108.767 -0.827 . . . . 2.19 108.767 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -57.64 -41.61 81.75 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 113.644 -1.616 . . . . 2.23 108.006 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.37 -42.98 99.84 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.066 -0.97 . . . . 2.36 110.255 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.27 -45.08 81.73 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.244 -0.582 . . . . 2.34 111.22 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.83 -43.93 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.415 -0.514 . . . . 2.48 111.243 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.56 -44.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.189 -0.46 . . . . 2.37 111.359 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -63.0 -48.17 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.193 -0.603 . . . . 2.33 110.224 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.89 -42.4 99.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.957 -0.297 . . . . 2.39 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.586 ' CB ' HD13 ' E' ' 37' ' ' LEU . 14.4 m -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.29 -0.564 . . . . 2.32 109.92 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' B' ' 36' ' ' CYS . 23.3 mt -64.31 -39.23 93.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.542 -0.754 . . . . 2.19 109.604 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.31 -44.83 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.539 -0.911 . . . . 2.22 108.539 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.47 -42.41 96.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.652 -0.419 . . . . 2.31 110.369 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.553 HD11 ' SG ' ' E' ' 41' ' ' CYS . 35.8 mm -63.49 -42.61 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.298 -0.631 . . . . 2.3 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' HD11 ' B' ' 40' ' ' ILE . 83.1 m -59.26 -45.13 92.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.918 -0.771 . . . . 2.35 108.918 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.05 -43.09 99.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.289 -0.414 . . . . 2.23 110.493 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.0 -43.26 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.696 -0.402 . . . . 2.25 110.547 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 44' ' ' LEU . 80.6 mt -64.05 -40.02 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.506 -0.478 . . . . 2.41 109.837 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.05 -43.58 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 108.996 -0.742 . . . . 2.38 108.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.4 m -63.36 -34.9 78.72 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 115.859 -0.61 . . . . 2.33 110.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -39.47 84.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.478 0.656 . . . . 2.28 110.2 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.909 -1.041 . . . . 2.24 109.646 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.98 -48.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.054 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.427 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.4 mmm -62.35 -47.78 82.71 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.129 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.35 -39.24 78.24 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.273 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.221 -0.429 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.619 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 25' ' ' ARG . 58.0 mtm180 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.16 -41.79 97.0 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.39 -44.62 94.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.339 0.59 . . . . 0.0 110.49 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 32' ' ' PHE . 25.1 mt -65.97 -42.27 90.12 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.06 -38.43 76.3 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.673 -1.603 . . . . 0.0 108.75 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.52 -44.09 91.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.478 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.75 -43.76 87.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 28' ' ' LEU . 15.5 m-85 -61.11 -47.52 85.88 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.386 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.75 -44.52 93.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.67 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.57 -47.48 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -63.22 -42.28 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.587 ' CB ' HD13 ' A' ' 37' ' ' LEU . 14.4 m -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.324 -0.551 . . . . 0.0 109.628 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.593 HD13 ' CB ' ' C' ' 36' ' ' CYS . 22.7 mt -62.56 -39.58 94.1 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.884 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.2 -43.44 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.62 -42.19 98.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.053 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.542 HD11 ' SG ' ' A' ' 41' ' ' CYS . 36.1 mm -63.83 -42.91 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' C' ' 40' ' ' ILE . 80.2 m -59.76 -43.77 94.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.405 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 44' ' ' LEU . 81.2 mt -63.81 -40.87 97.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.4 -43.51 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -63.33 -35.5 80.58 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.898 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.44 -42.19 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.78 -42.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.82 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.53 -46.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 81.4 mmm -63.37 -48.07 79.46 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.795 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.6 -39.52 77.21 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.345 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.599 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 25' ' ' ARG . 58.2 mtm180 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -64.43 -41.58 96.5 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.442 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.411 ' HB2' HH11 ' D' ' 25' ' ' ARG . 36.4 t30 -63.57 -44.47 93.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.319 0.581 . . . . 0.0 110.427 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.0 -42.12 90.17 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.21 -38.68 77.27 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.595 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.19 -44.41 92.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.46 -43.7 89.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.908 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.29 -47.53 85.57 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.244 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.78 -44.4 93.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.712 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.65 -47.26 82.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.408 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.53 -42.14 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.077 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.593 ' CB ' HD13 ' B' ' 37' ' ' LEU . 13.9 m -62.73 -43.88 97.67 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.623 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' D' ' 36' ' ' CYS . 22.8 mt -62.52 -39.49 93.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.895 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.3 -43.46 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.77 -41.96 98.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.064 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 41' ' ' CYS . 36.4 mm -63.94 -42.67 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' D' ' 40' ' ' ILE . 80.7 m -59.87 -43.83 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.82 -41.62 99.39 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.541 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.84 -43.16 99.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 44' ' ' LEU . 80.8 mt -63.73 -40.87 97.81 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.5 -43.45 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.41 -35.4 80.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.856 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.45 -42.11 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.9 -42.55 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.9 t -68.48 -46.02 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.904 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.433 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.9 mmm -63.54 -48.19 78.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.742 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.72 -39.34 76.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.327 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.583 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' ARG . . . . . 0.411 HH11 ' HB2' ' C' ' 27' ' ' ASN . 58.2 mtm180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.52 -41.66 96.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.403 ' HB2' HH11 ' E' ' 25' ' ' ARG . 35.2 t30 -63.42 -44.39 94.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.284 0.564 . . . . 0.0 110.501 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 23.6 mt -66.07 -42.35 89.55 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.2 -38.29 76.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.701 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.3 -44.35 91.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.493 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.55 -43.83 88.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.734 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.25 -47.53 85.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.369 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.2 mt -65.66 -44.52 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.66 -47.4 81.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.47 -42.05 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.08 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.584 ' CB ' HD13 ' C' ' 37' ' ' LEU . 13.4 m -62.58 -44.13 97.09 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.546 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.59 HD13 ' CB ' ' E' ' 36' ' ' CYS . 23.6 mt -62.49 -39.28 92.95 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.822 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.47 -43.57 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.972 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.56 HD11 ' SG ' ' C' ' 41' ' ' CYS . 36.1 mm -63.87 -42.86 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' E' ' 40' ' ' ILE . 83.0 m -59.72 -44.24 93.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.54 -41.63 99.01 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.74 -43.38 98.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' D' ' 44' ' ' LEU . 80.9 mt -63.83 -40.84 97.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.41 -43.42 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.48 -35.45 80.5 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.925 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.31 -42.24 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.682 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.31 -46.22 81.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.963 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.431 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.6 mmm -63.46 -48.2 78.68 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.658 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.65 -39.2 77.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.387 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 25' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' E' ' 25' ' ' ARG . 58.4 mtm180 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.42 -41.74 96.44 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.404 ' HB2' HH11 ' A' ' 25' ' ' ARG . 35.5 t30 -63.45 -44.19 95.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.474 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.44 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 24.5 mt -66.35 -42.14 88.53 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.15 -38.66 77.02 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.561 -1.654 . . . . 0.0 108.623 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.22 -44.32 92.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.618 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.49 -43.89 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.665 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -60.98 -47.61 85.65 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.411 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.68 -44.56 93.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.747 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.55 -47.49 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.327 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -63.44 -41.9 98.66 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.184 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.59 ' CB ' HD13 ' D' ' 37' ' ' LEU . 12.6 m -62.85 -43.86 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.596 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.586 HD13 ' CB ' ' A' ' 36' ' ' CYS . 23.4 mt -62.4 -39.72 94.18 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.776 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.07 -43.46 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.63 -42.28 98.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.985 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.562 HD11 ' SG ' ' D' ' 41' ' ' CYS . 36.9 mm -63.8 -42.75 96.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 40' ' ' ILE . 79.6 m -59.73 -44.0 93.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.71 -41.62 99.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.469 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.87 -43.13 99.61 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.426 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' E' ' 44' ' ' LEU . 80.5 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.36 -43.25 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.68 -35.39 80.38 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.944 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.45 -42.34 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.7 -42.59 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.645 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.59 -46.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.893 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.442 ' HB3' HD13 ' D' ' 52' ' ' LEU . 81.4 mmm -63.62 -48.07 78.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.582 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.56 -39.45 77.39 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.475 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.487 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.682 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.16 0.505 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -61.1 -41.57 96.92 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.494 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.22 -44.72 91.03 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 22.6 mt -61.56 -43.69 98.4 Favored 'General case' 0 CA--C 1.497 -1.059 0 N-CA-C 108.552 -0.907 . . . . 1.96 108.552 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG2' HD12 ' A' ' 33' ' ' ILE . 56.5 tt0 -58.76 -39.46 81.04 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 113.501 -1.681 . . . . 2.15 109.07 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -64.35 -40.98 96.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.791 -1.095 . . . . 2.61 110.415 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.91 -48.1 59.88 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 120.204 -0.598 . . . . 2.44 111.367 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -59.39 -42.48 91.82 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.607 -0.437 . . . . 2.51 111.912 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' A' ' 29' ' ' GLN . 79.2 mt -70.1 -44.73 77.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.738 -0.665 . . . . 2.33 110.793 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.41 -46.57 87.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.064 -0.654 . . . . 2.19 110.215 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.25 -43.26 99.24 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.908 -0.317 . . . . 2.46 110.209 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' CB ' HD13 ' E' ' 37' ' ' LEU . 10.9 m -63.68 -39.98 95.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.038 0.446 . . . . 2.53 110.193 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' CB ' ' B' ' 36' ' ' CYS . 32.0 mt -66.12 -37.97 87.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.228 -0.896 . . . . 2.09 109.886 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.34 -44.81 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 N-CA-C 108.588 -0.893 . . . . 2.03 108.588 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.23 -41.55 84.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.383 -0.599 . . . . 2.41 109.383 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 37' ' ' LEU . 25.9 mt -63.58 -43.56 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.919 -0.4 . . . . 2.34 109.919 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.7 m -61.12 -46.48 90.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.002 -0.74 . . . . 2.33 109.002 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.94 -42.42 98.16 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.558 -0.534 . . . . 2.3 109.558 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' E' ' 44' ' ' LEU . 10.3 mt -60.71 -42.17 96.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.255 -0.646 . . . . 2.2 109.255 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' HB2' HD13 ' B' ' 43' ' ' LEU . 14.0 mt -63.85 -40.6 96.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.888 -0.412 . . . . 2.38 109.888 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.74 -43.74 96.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.306 0.574 . . . . 2.53 109.569 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -65.36 -34.55 78.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.496 -0.775 . . . . 2.34 110.124 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.39 -40.89 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 2.34 109.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.74 -40.19 87.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 114.956 -1.02 . . . . 2.42 108.946 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.55 -44.05 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.1 mmm -65.33 -40.55 93.83 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.5 mt -64.46 -41.18 96.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.89 -42.5 93.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.338 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.13 -43.47 95.16 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 122.356 1.074 . . . . 0.0 108.276 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.039 -1.891 . . . . 0.0 109.265 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -63.95 -44.81 91.68 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.799 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.19 -45.42 76.99 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.91 -47.07 88.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.292 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.36 -44.3 90.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.705 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -63.25 -46.28 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.423 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.54 ' CB ' HD13 ' A' ' 37' ' ' LEU . 8.5 m -64.13 -41.88 97.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.047 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' C' ' 36' ' ' CYS . 32.7 mt -64.33 -38.58 91.56 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.37 -43.14 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.98 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.6 mt -63.87 -43.58 97.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.307 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.22 -41.34 99.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 44' ' ' LEU . 9.6 mt -62.2 -42.08 98.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.279 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.7 mt -63.62 -41.04 98.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.015 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.26 -44.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.81 -34.3 78.03 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.043 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.06 -41.82 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.82 -44.5 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.69 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.3 mmm -64.16 -41.81 97.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.394 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' B' ' 52' ' ' LEU . 10.8 mt -64.5 -41.03 96.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' B' ' 51' ' ' LEU . 3.7 mp . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.14 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 . . . . . 0 CA--C 1.517 -0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.12 -42.35 94.6 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.365 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.62 -41.08 96.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.23 -43.78 93.88 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HG2' HD12 ' C' ' 33' ' ' ILE . 56.1 tt0 -59.31 -38.27 79.86 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.184 -1.826 . . . . 0.0 109.316 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -64.05 -44.67 91.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.21 -45.16 77.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.279 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.86 -47.48 86.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.376 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' C' ' 29' ' ' GLN . 84.5 mt -66.29 -44.32 91.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.79 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.06 -46.28 88.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.33 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.17 -42.8 99.61 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.992 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.549 ' CB ' HD13 ' B' ' 37' ' ' LEU . 9.0 m -64.09 -41.79 97.16 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.998 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.0 mt -64.31 -38.29 90.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.02 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.55 -43.01 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.19 -40.8 91.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' C' ' 37' ' ' LEU . 25.3 mt -63.91 -43.66 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.116 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 92.2 m -62.04 -43.49 98.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' B' ' 44' ' ' LEU . 10.0 mt -62.09 -41.98 98.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.174 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.9 mt -63.64 -41.16 98.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.21 -44.24 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -64.88 -34.38 78.26 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.963 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.04 -43.39 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.24 -41.53 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.84 -44.47 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.597 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmm -64.31 -41.37 96.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' C' ' 52' ' ' LEU . 10.8 mt -64.6 -40.71 96.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' C' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.216 -0.667 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.86 -42.53 93.87 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -64.61 -40.65 95.88 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.599 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.4 -43.89 93.01 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLN . . . . . 0.408 ' HG2' HD12 ' D' ' 33' ' ' ILE . 6.8 tt0 -59.13 -38.26 79.2 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.085 -1.871 . . . . 0.0 109.264 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.14 -44.76 91.17 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.637 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.33 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.76 -47.5 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.281 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' D' ' 29' ' ' GLN . 85.4 mt -65.98 -44.4 92.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.834 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.04 -46.34 88.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.33 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' C' ' 37' ' ' LEU . 8.9 m -64.2 -41.85 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.049 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.55 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.3 mt -64.3 -38.4 90.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.52 -42.99 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' D' ' 37' ' ' LEU . 25.4 mt -63.79 -43.61 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.183 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.94 -43.61 98.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.32 -41.59 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 44' ' ' LEU . 9.9 mt -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.238 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.455 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.8 mt -63.66 -41.1 98.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.902 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.29 -44.52 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.34 -34.63 78.59 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.238 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -63.82 -43.69 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.77 -41.74 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.74 -44.4 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.674 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 38.7 mmm -64.45 -41.41 96.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' D' ' 52' ' ' LEU . 10.9 mt -64.57 -40.84 96.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' D' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.938 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.052 0.454 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.04 -42.39 94.34 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.309 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.76 -40.87 96.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.14 0.495 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 mt -64.25 -43.74 93.95 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' E' ' 33' ' ' ILE . 6.7 tt0 -59.23 -38.24 79.5 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.2 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.0 -44.84 91.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.877 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.15 -45.23 77.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.33 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.12 -47.03 88.14 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.383 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' E' ' 29' ' ' GLN . 85.2 mt -66.44 -44.43 90.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.687 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.33 -46.01 88.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.418 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -62.16 -42.79 99.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.544 ' CB ' HD13 ' D' ' 37' ' ' LEU . 8.2 m -64.18 -41.95 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.983 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.8 mt -64.19 -38.44 91.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.069 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.43 -42.9 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.9 -40.85 90.18 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.0 mt -63.99 -43.68 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.243 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.0 -43.73 98.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.897 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.26 -41.4 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' D' ' 44' ' ' LEU . 9.9 mt -61.98 -42.13 98.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.293 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 43' ' ' LEU . 14.0 mt -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.08 -44.49 97.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.72 -34.24 77.86 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.092 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.14 -43.26 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.18 -41.75 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.066 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.96 -44.28 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.576 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 37.6 mmm -64.57 -41.32 96.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 51' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' E' ' 52' ' ' LEU . 10.8 mt -64.53 -41.05 96.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' E' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.642 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.045 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.528 0.68 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.92 -36.4 84.24 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.733 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.13 -44.0 93.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.44 -43.48 93.12 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-O 121.969 0.89 . . . . 1.88 108.874 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.453 ' HG2' HD12 ' A' ' 33' ' ' ILE . 8.4 tt0 -60.44 -38.51 84.38 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.451 -1.704 . . . . 2.56 108.612 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -65.2 -42.13 93.86 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.822 -1.081 . . . . 2.36 110.64 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -49.34 70.59 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.838 -0.745 . . . . 2.3 111.893 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 7.4 t80 -57.8 -52.32 65.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.549 -0.86 . . . . 2.67 109.704 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.453 HD12 ' HG2' ' A' ' 29' ' ' GLN . 84.0 mt -61.93 -45.51 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.574 -0.45 . . . . 2.26 111.49 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -59.02 -52.15 66.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.041 -0.664 . . . . 2.27 109.827 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -57.52 -43.69 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.776 -0.369 . . . . 2.65 110.919 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.57 ' HB3' HD22 ' E' ' 37' ' ' LEU . 95.1 m -66.29 -36.51 83.14 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.291 -0.563 . . . . 2.12 111.175 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' B' ' 36' ' ' CYS . 24.4 mt -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 2.04 109.397 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.81 -43.79 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 N-CA-C 109.166 -0.679 . . . . 2.5 109.166 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.74 -41.74 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.531 -0.304 . . . . 2.35 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.13 -42.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.227 -0.657 . . . . 2.24 109.227 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.13 -43.02 99.52 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.774 -0.824 . . . . 2.31 108.774 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.85 -42.1 99.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.914 -0.402 . . . . 2.18 109.914 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.34 -43.17 92.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.146 -0.687 . . . . 2.36 109.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.21 -38.83 92.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 2.42 109.663 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.97 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.271 -0.64 . . . . 2.24 109.271 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.99 -38.68 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.401 -0.592 . . . . 2.31 109.401 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.71 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.736 -0.665 . . . . 2.38 109.563 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.537 HG23 ' SD ' ' B' ' 50' ' ' MET . 78.8 mt -64.54 -44.12 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 115.554 -0.748 . . . . 2.53 109.163 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.9 -44.49 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.547 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HG23 ' E' ' 48' ' ' ILE . 43.2 mtt -63.9 -39.01 93.19 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.09 -38.89 92.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.904 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.32 -39.81 95.59 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.209 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.79 -39.34 93.93 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.14 -43.44 98.36 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.452 ' HG2' HD12 ' B' ' 33' ' ' ILE . 8.5 tt0 -60.47 -38.79 85.38 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 113.191 -1.822 . . . . 0.0 108.726 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -64.95 -43.02 94.05 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.5 -46.75 81.6 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.633 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.438 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 7.9 t80 -61.38 -48.98 78.8 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.331 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.452 HD12 ' HG2' ' B' ' 29' ' ' GLN . 81.8 mt -64.37 -44.29 97.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.465 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.03 -48.55 81.27 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.396 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.388 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.1 m -65.95 -37.48 86.12 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.203 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' C' ' 36' ' ' CYS . 24.7 mt -60.59 -41.99 95.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' B' ' 38' ' ' ILE . 29.9 mm -64.02 -43.34 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.55 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.06 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.81 -41.77 98.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.212 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.65 -40.42 96.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.077 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.32 -42.95 99.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.58 -38.77 92.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.592 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -42.62 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.21 -38.63 87.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.39 -42.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 ' SD ' ' C' ' 50' ' ' MET . 79.8 mt -63.8 -42.69 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.678 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.3 -44.45 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.537 ' SD ' HG23 ' A' ' 48' ' ' ILE . 43.6 mtt -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.07 -38.78 92.29 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.66 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.959 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.44 -39.76 95.34 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.144 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.29 -43.4 97.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' C' ' 33' ' ' ILE . 8.4 tt0 -60.51 -38.58 84.82 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.182 -1.827 . . . . 0.0 108.786 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -65.07 -43.06 93.47 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.62 -46.71 81.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.61 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.441 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 7.9 t80 -61.29 -48.9 79.28 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.377 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.466 HD12 ' HG2' ' C' ' 29' ' ' GLN . 81.4 mt -64.46 -44.32 96.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.482 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -61.08 -48.51 81.35 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.0 -43.6 98.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.361 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.557 ' HB3' HD22 ' B' ' 37' ' ' LEU . 95.5 m -65.73 -37.55 86.71 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.244 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' D' ' 36' ' ' CYS . 24.9 mt -60.6 -42.0 95.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.02 -43.41 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.615 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.09 -43.02 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.58 -41.89 98.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.159 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.59 -40.4 96.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.061 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.49 -42.87 99.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.657 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -42.63 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.15 -38.81 87.75 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.19 -42.81 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.359 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.515 HG23 ' SD ' ' D' ' 50' ' ' MET . 80.3 mt -63.86 -42.54 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.687 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.37 -44.44 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.517 ' SD ' HG23 ' B' ' 48' ' ' ILE . 43.3 mtt -63.93 -39.02 93.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.15 -38.96 92.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.921 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -63.28 -39.69 95.28 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.218 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.01 -39.24 94.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.15 -43.46 98.26 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' D' ' 33' ' ' ILE . 8.4 tt0 -60.52 -38.77 85.49 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.127 -1.851 . . . . 0.0 108.666 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -65.04 -43.04 93.68 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.48 -46.75 81.7 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.616 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.445 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 7.8 t80 -61.3 -48.89 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.357 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' D' ' 29' ' ' GLN . 81.2 mt -64.51 -44.23 96.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -61.09 -48.52 81.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.409 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.06 -43.51 98.78 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' C' ' 37' ' ' LEU . 94.1 m -65.77 -37.57 86.68 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' E' ' 36' ' ' CYS . 24.8 mt -60.63 -42.01 96.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.08 -43.32 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.09 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.53 -41.85 97.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.238 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.66 -40.39 96.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.083 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.4 -43.04 99.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.46 -38.85 92.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.685 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.99 -42.66 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.1 -38.75 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.4 -42.61 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.516 HG23 ' SD ' ' E' ' 50' ' ' MET . 80.3 mt -63.87 -42.61 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.694 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.3 -44.47 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.37 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.515 ' SD ' HG23 ' C' ' 48' ' ' ILE . 43.6 mtt -63.82 -39.19 93.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.15 -38.86 92.59 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.13 -39.73 95.55 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -62.9 -39.3 94.08 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.16 -43.49 98.15 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 29' ' ' GLN . . . . . 0.462 ' HG2' HD12 ' E' ' 33' ' ' ILE . 8.5 tt0 -60.39 -38.92 85.49 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 113.143 -1.844 . . . . 0.0 108.711 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -64.78 -43.27 93.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.493 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -46.82 81.79 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.669 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 32' ' ' PHE . . . . . 0.442 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 7.9 t80 -61.22 -48.92 79.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.328 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.462 HD12 ' HG2' ' E' ' 29' ' ' GLN . 81.4 mt -64.51 -44.19 96.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.544 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -61.14 -48.42 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.388 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.13 -43.62 98.59 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.346 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' D' ' 37' ' ' LEU . 95.5 m -65.74 -37.57 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 36' ' ' CYS . 25.0 mt -60.62 -41.99 95.94 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.58 -42.25 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.04 -42.94 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 87.2 m -61.69 -41.91 98.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.209 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.57 -40.39 96.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.41 -42.84 99.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.6 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.621 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mm -62.95 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.25 -38.72 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.28 -42.83 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.314 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.509 HG23 ' SD ' ' A' ' 50' ' ' MET . 80.3 mt -63.77 -42.63 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.724 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.35 -44.34 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.363 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.516 ' SD ' HG23 ' D' ' 48' ' ' ILE . 43.5 mtt -63.87 -39.16 93.54 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.281 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.13 -38.74 92.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.984 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -68.45 -32.93 73.28 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.699 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.45 -42.44 98.65 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.532 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.29 -41.93 89.08 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 108.301 -1.0 . . . . 2.22 108.301 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -56.54 -42.34 78.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.765 -1.561 . . . . 1.92 107.342 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -63.23 -43.38 98.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.532 -1.213 . . . . 2.55 110.944 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.71 -45.57 78.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.113 -0.635 . . . . 2.5 112.123 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.6 -45.24 94.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 2.48 111.889 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.95 -44.84 81.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.326 -0.55 . . . . 2.47 111.362 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.48 -46.14 87.55 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.06 -0.656 . . . . 2.24 110.457 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.81 -41.35 97.65 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.707 -0.397 . . . . 2.21 110.331 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 92.3 m -66.08 -39.0 89.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.012 -0.675 . . . . 2.5 110.303 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 40' ' ' ILE . 56.0 mt -67.15 -39.62 86.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.708 -0.479 . . . . 2.4 109.708 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.86 -44.36 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 108.319 -0.993 . . . . 1.99 108.319 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.89 -41.09 77.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.636 . . . . 2.22 109.284 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 37' ' ' LEU . 32.3 mt -63.1 -43.13 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.813 -0.81 . . . . 2.41 108.813 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.4 m -57.77 -47.75 81.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.163 -0.68 . . . . 2.29 109.163 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.02 -43.82 98.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.693 0.283 . . . . 2.26 110.257 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.82 -41.6 87.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 2.36 109.054 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.508 ' CD1' HG23 ' B' ' 40' ' ' ILE . 67.4 mt -64.14 -39.0 93.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 2.21 109.477 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.6 mm -62.38 -44.4 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.059 0 N-CA-C 109.097 -0.705 . . . . 2.36 109.097 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -57.43 -42.81 83.11 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.771 -0.649 . . . . 2.54 109.445 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 HG13 ' E' ' 48' ' ' ILE . 2.8 mt -67.3 -39.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.499 -0.773 . . . . 2.11 110.692 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 52' ' ' LEU . 22.5 mt -61.0 -46.46 96.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 N-CA-C 108.417 -0.957 . . . . 2.55 108.417 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.72 -42.86 93.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.338 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' E' ' 52' ' ' LEU . 18.0 mtt -65.49 -40.46 93.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.176 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -72.33 -29.04 63.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' B' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.444 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.043 0.449 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -67.2 -37.27 83.38 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.382 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.07 -42.61 94.94 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 19.4 mt -65.78 -41.98 91.33 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -57.77 -39.19 76.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.888 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -65.36 -45.7 83.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.158 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -45.02 89.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.35 -49.26 77.67 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.127 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.69 -45.25 92.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.773 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.75 -45.18 91.04 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.3 -41.99 98.98 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.934 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 87.9 m -65.19 -40.64 94.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' B' ' 40' ' ' ILE . 56.7 mt -65.62 -40.11 92.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 109.91 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.23 -41.77 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.33 -40.94 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 31.7 mt -62.86 -43.09 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' C' ' 40' ' ' ILE . 63.1 m -59.14 -45.1 91.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.632 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.91 -41.6 99.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.491 ' CD1' HG23 ' C' ' 40' ' ' ILE . 66.1 mt -64.09 -39.0 93.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.475 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 48' ' ' ILE . 5.4 mm -62.59 -43.2 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.79 -42.53 89.28 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' A' ' 48' ' ' ILE . 2.8 mt -66.95 -40.21 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.723 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.657 ' O ' HD12 ' B' ' 52' ' ' LEU . 21.8 mt -60.86 -45.32 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.18 -42.77 88.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 52' ' ' LEU . 17.9 mtt -65.42 -40.49 93.4 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.096 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -72.63 -28.56 62.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.695 HD11 ' SD ' ' C' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.656 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -66.93 -37.37 84.19 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.91 -42.56 94.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 18.9 mt -65.82 -42.08 91.05 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.56 -39.52 76.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.673 -1.603 . . . . 0.0 107.927 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -65.04 -45.75 84.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.206 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.37 -44.68 90.63 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.57 -49.46 76.55 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.033 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.61 -44.94 93.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.824 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -64.06 -44.91 91.0 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.895 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 87.0 m -65.32 -40.52 93.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' C' ' 40' ' ' ILE . 56.8 mt -65.74 -39.93 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.47 -41.62 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.44 -40.72 87.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' C' ' 37' ' ' LEU . 31.0 mt -63.09 -42.98 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.488 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.5 m -59.06 -45.21 91.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.806 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.76 -41.65 99.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.449 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.49 -41.54 97.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.498 ' CD1' HG23 ' D' ' 40' ' ' ILE . 66.1 mt -64.08 -39.16 93.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.391 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' C' ' 48' ' ' ILE . 5.5 mm -62.51 -43.12 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -58.89 -42.59 89.88 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' B' ' 48' ' ' ILE . 2.8 mt -66.91 -40.44 85.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.654 ' O ' HD12 ' C' ' 52' ' ' LEU . 22.0 mt -60.69 -45.27 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.27 -42.72 88.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.695 ' SD ' HD11 ' B' ' 52' ' ' LEU . 18.4 mtt -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.186 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -72.78 -28.74 62.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' D' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 117.616 -1.183 . . . . 0.0 109.775 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.969 0.414 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -67.1 -37.39 83.84 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.02 -42.66 94.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.56 -42.23 92.08 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.957 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -65.23 -45.72 83.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.132 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -44.75 90.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.49 -49.49 76.54 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.102 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.47 -45.09 93.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.826 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -64.0 -45.06 90.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.826 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.38 -41.64 98.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.913 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 87.2 m -65.6 -40.41 92.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' D' ' 40' ' ' ILE . 56.9 mt -65.88 -39.86 91.06 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.4 -41.7 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.44 -40.79 87.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' D' ' 37' ' ' LEU . 30.9 mt -63.02 -43.07 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' E' ' 40' ' ' ILE . 63.5 m -59.15 -45.03 92.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.795 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.95 -41.5 99.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' E' ' 40' ' ' ILE . 66.5 mt -64.01 -39.09 93.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' D' ' 48' ' ' ILE . 5.5 mm -62.53 -43.12 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.81 -42.77 89.91 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.511 HD11 HG13 ' C' ' 48' ' ' ILE . 2.8 mt -66.68 -40.45 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.658 ' O ' HD12 ' D' ' 52' ' ' LEU . 21.7 mt -60.68 -45.36 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.2 -42.71 88.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.215 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.686 ' SD ' HD11 ' C' ' 52' ' ' LEU . 17.9 mtt -65.43 -40.3 93.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.162 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -72.76 -28.66 62.74 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' E' ' 50' ' ' MET . 3.4 mt . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.681 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -67.11 -37.2 83.48 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.132 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.08 -42.75 95.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.194 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 19.8 mt -65.56 -42.12 92.19 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -57.7 -39.26 76.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 113.688 -1.596 . . . . 0.0 107.937 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -65.34 -45.69 83.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.173 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.32 -44.91 90.08 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.307 -0.557 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -61.41 -49.14 78.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.077 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.82 -45.04 92.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.821 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.81 -45.14 90.97 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.35 -41.85 98.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 87.2 m -65.42 -40.61 93.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.1 mt -65.71 -39.79 91.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.36 -41.82 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.35 -40.91 87.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 31.0 mt -62.9 -43.09 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.1 m -59.2 -44.97 92.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.738 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.98 -41.8 99.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.495 ' CD1' HG23 ' A' ' 40' ' ' ILE . 66.4 mt -64.18 -39.15 93.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' E' ' 48' ' ' ILE . 5.4 mm -62.43 -43.3 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -58.76 -42.45 88.91 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.508 HD11 HG13 ' D' ' 48' ' ' ILE . 2.8 mt -66.93 -40.37 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.773 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.656 ' O ' HD12 ' E' ' 52' ' ' LEU . 21.9 mt -60.8 -45.18 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.12 -42.95 88.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' D' ' 52' ' ' LEU . 17.8 mtt -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.197 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 51' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' A' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 117.542 -1.218 . . . . 0.0 109.766 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.943 0.401 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -65.38 -34.72 78.98 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.31 -42.16 98.99 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.44 -42.85 99.4 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 108.118 -1.068 . . . . 2.04 108.118 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.97 -40.25 88.42 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 113.994 -1.457 . . . . 2.3 108.166 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -64.01 -43.07 96.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.366 -0.834 . . . . 2.43 110.909 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.71 -46.21 72.89 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.276 -0.57 . . . . 2.39 110.609 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.96 -43.22 95.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.941 0.401 . . . . 2.44 111.586 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 33' ' ' ILE . 83.9 mt -70.46 -43.82 77.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.06 -0.518 . . . . 2.29 110.781 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.98 -50.05 74.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.14 -0.482 . . . . 2.32 110.524 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -63.73 -41.97 97.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.314 -0.403 . . . . 2.49 110.878 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD13 ' E' ' 37' ' ' LEU . 62.7 m -65.01 -42.28 94.58 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.326 -0.55 . . . . 2.34 110.829 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.3 mt -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.584 -0.525 . . . . 2.18 109.584 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.51 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.197 -1.038 . . . . 2.2 108.197 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.56 -39.68 91.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.909 -0.587 . . . . 2.34 109.853 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.26 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.619 -0.882 . . . . 2.34 108.619 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.07 -42.21 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.247 -0.888 . . . . 2.17 109.114 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.34 -42.38 99.34 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.72 -0.474 . . . . 2.16 109.72 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.5 -42.97 93.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.879 -0.786 . . . . 2.44 108.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.14 -39.17 93.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.508 -0.553 . . . . 2.34 109.508 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.1 -43.38 97.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 109.146 -0.687 . . . . 2.24 109.146 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -58.22 -40.52 81.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 2.31 109.802 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.7 -41.65 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.088 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.72 -46.09 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 N-CA-C 108.282 -1.007 . . . . 2.57 108.282 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.76 -46.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.302 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.439 ' HB3' HD11 ' E' ' 51' ' ' LEU . 81.8 mmm -63.97 -42.0 97.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -80.09 -21.45 43.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.233 0.539 . . . . 0.0 110.244 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' B' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.109 0.48 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -64.14 -37.86 88.99 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.55 -39.98 93.05 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.13 -43.04 99.51 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.46 -38.53 84.52 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.711 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -64.79 -44.13 90.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.565 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.68 -43.98 78.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.26 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.5 -48.18 82.88 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.449 HG12 HG21 ' A' ' 33' ' ' ILE . 90.5 mt -66.25 -43.73 91.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.353 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -61.46 -49.47 76.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.34 -42.46 98.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.402 ' CB ' HD13 ' A' ' 37' ' ' LEU . 61.9 m -64.41 -44.76 90.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.562 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.6 mt -63.72 -38.51 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.878 0.371 . . . . 0.0 110.065 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.17 -43.83 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.84 -39.86 95.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.318 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.81 -42.57 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -62.34 -41.26 98.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.703 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.6 mt -62.56 -41.45 98.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.12 -42.9 99.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.22 -38.92 92.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.487 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.62 -42.41 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.23 -40.28 85.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.801 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.43 -43.11 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.45 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 109.409 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.72 -44.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.129 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.444 ' HB3' HD11 ' A' ' 51' ' ' LEU . 81.0 mmm -65.8 -41.81 91.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.945 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.488 ' O ' HD12 ' B' ' 51' ' ' LEU . 0.4 OUTLIER -79.85 -21.47 44.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.245 0.545 . . . . 0.0 110.104 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.433 HD22 ' SD ' ' C' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.03 -37.96 89.35 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -40.03 92.85 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.547 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.98 -42.99 99.99 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.45 -38.57 84.57 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.558 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -65.0 -43.94 90.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.71 -44.07 78.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.35 -47.84 84.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.446 HG21 HG12 ' D' ' 33' ' ' ILE . 89.1 mt -66.83 -43.47 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -61.48 -49.9 74.92 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.599 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.3 -42.17 99.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.761 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.409 ' HB2' HD13 ' B' ' 37' ' ' LEU . 63.8 m -64.5 -45.18 88.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.9 mt -63.2 -39.02 93.44 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.102 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.83 -43.92 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.83 -39.94 95.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.682 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.61 -43.17 97.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.1 -38.92 92.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.523 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.64 -42.11 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.66 -40.26 87.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.708 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.31 -42.92 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.7 -42.56 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.507 0.67 . . . . 0.0 109.231 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.44 -44.86 97.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.34 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.433 ' SD ' HD22 ' B' ' 52' ' ' LEU . 80.5 mmm -65.46 -41.94 92.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.079 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.472 ' O ' HD12 ' C' ' 51' ' ' LEU . 0.4 OUTLIER -79.76 -21.71 44.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.436 HD22 ' SD ' ' D' ' 50' ' ' MET . 47.7 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.309 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.983 0.421 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -63.72 -38.14 90.01 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.419 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' D' ' 28' ' ' LEU . 11.5 mt -63.17 -42.99 99.5 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.44 -38.49 84.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.52 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -64.92 -44.21 90.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.43 -44.11 79.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.46 -47.88 84.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.191 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.45 HG21 HG12 ' E' ' 33' ' ' ILE . 88.7 mt -66.69 -43.42 90.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -61.39 -49.98 74.71 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.692 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.21 -42.14 99.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.413 ' HB2' HD13 ' C' ' 37' ' ' LEU . 64.0 m -64.78 -44.9 88.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.398 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 37' ' ' LEU . 26.1 mt -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.064 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.85 -43.95 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.76 -39.94 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.438 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' D' ' 43' ' ' LEU . 1.6 mm -62.8 -42.55 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.48 -41.13 98.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.46 -41.6 98.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.836 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 40' ' ' ILE . 41.8 mt -60.65 -43.1 98.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.24 -39.03 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.586 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.58 -42.25 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.66 -40.16 86.81 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.27 -42.84 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -42.58 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.35 -44.98 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.056 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.261 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.436 ' SD ' HD22 ' C' ' 52' ' ' LEU . 80.6 mmm -65.33 -41.99 93.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.023 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.458 ' O ' HD12 ' D' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -21.75 43.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 110.05 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.43 HD22 ' SD ' ' E' ' 50' ' ' MET . 47.2 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.427 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -64.05 -37.85 88.92 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -61.41 -40.09 93.12 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 11.4 mt -63.12 -42.95 99.62 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.42 -38.6 84.56 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.639 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -64.82 -44.08 91.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.76 -43.78 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.87 -48.19 82.96 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.228 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.45 HG12 HG21 ' D' ' 33' ' ' ILE . 89.5 mt -66.32 -43.52 91.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.243 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.57 -49.6 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.633 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.47 -42.09 98.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.409 ' CB ' HD13 ' D' ' 37' ' ' LEU . 62.0 m -64.57 -45.15 88.3 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' E' ' 37' ' ' LEU . 26.6 mt -63.4 -38.75 92.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.84 -43.88 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.68 -40.06 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.462 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.72 -42.56 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.55 -41.19 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.48 -41.55 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -43.16 99.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.16 -38.74 92.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.518 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.66 -42.4 95.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.31 -40.43 86.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.602 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.18 -42.9 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.75 -42.31 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.391 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.72 -44.68 96.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.438 ' HB3' HD11 ' D' ' 51' ' ' LEU . 81.2 mmm -65.56 -41.8 92.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.979 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 51' ' ' LEU . . . . . 0.49 ' O ' HD12 ' E' ' 51' ' ' LEU . 0.4 OUTLIER -80.07 -21.48 43.34 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.409 0.623 . . . . 0.0 110.168 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.428 HD22 ' SD ' ' A' ' 50' ' ' MET . 48.6 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.172 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 . . . . . 0 CA--C 1.513 -0.45 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.66 -41.53 86.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.566 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -65.39 -40.96 94.11 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.463 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.9 -43.3 93.3 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.179 -1.045 . . . . 2.16 108.179 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -60.24 -43.7 95.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 113.864 -1.516 . . . . 2.2 108.447 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.6 -45.08 94.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.001 -1.0 . . . . 2.39 111.01 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.46 -44.99 77.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.584 -0.446 . . . . 2.37 111.457 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.866 0.321 . . . . 2.43 111.866 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.12 -43.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 120.725 -0.39 . . . . 2.37 110.666 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.02 -49.55 75.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.433 -0.507 . . . . 2.29 110.546 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.71 -40.87 98.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.914 -0.315 . . . . 2.39 110.264 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' E' ' 37' ' ' LEU . 4.1 m -63.31 -42.43 99.02 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.357 -0.537 . . . . 2.33 110.198 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.8 mt -63.67 -39.09 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 2.19 110.091 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.95 -43.77 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.916 -0.772 . . . . 2.15 108.916 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.59 -40.95 93.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 2.28 109.791 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.511 HG22 HD12 ' B' ' 40' ' ' ILE . 36.4 mm -63.38 -42.27 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.975 -0.75 . . . . 2.36 108.975 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.8 m -60.99 -46.0 92.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.436 -0.802 . . . . 2.32 109.096 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.11 -42.45 99.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.471 -0.331 . . . . 2.2 110.316 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' E' ' 44' ' ' LEU . 20.0 mt -59.39 -42.87 92.71 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.743 -0.465 . . . . 2.26 109.743 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' HD13 ' B' ' 43' ' ' LEU . 6.9 mt -63.84 -38.68 92.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.612 -0.514 . . . . 2.29 109.612 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.7 mm -62.56 -43.1 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.158 -0.682 . . . . 2.28 109.158 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.48 -39.04 89.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.897 -0.592 . . . . 2.33 109.539 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.414 HD13 HD21 ' E' ' 51' ' ' LEU . 9.3 mm -64.24 -41.93 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.92 -0.582 . . . . 2.17 109.954 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.01 -42.34 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.521 0.677 . . . . 2.34 109.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 45' ' ' ILE . 56.0 t -64.68 -44.06 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.792 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.95 -41.89 99.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.136 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.4 pp -78.21 -20.6 51.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.309 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.39 -42.3 86.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.315 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -64.62 -41.33 96.27 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 15.0 mt -64.56 -43.0 95.3 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.97 -39.83 93.52 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.238 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.19 -45.72 83.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.456 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.63 -43.66 79.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.0 -48.09 83.45 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.778 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.81 -44.01 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -62.55 -48.86 77.66 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.76 -40.77 98.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.559 ' CB ' HD13 ' A' ' 37' ' ' LEU . 4.6 m -63.28 -44.58 94.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.879 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' C' ' 36' ' ' CYS . 26.8 mt -61.71 -39.3 91.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.406 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.9 -42.71 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.55 -40.54 95.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 40' ' ' ILE . 34.8 mm -63.48 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' C' ' 40' ' ' ILE . 73.0 m -61.38 -44.66 96.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.688 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.11 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.392 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 44' ' ' LEU . 19.3 mt -61.34 -42.94 99.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.666 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' C' ' 43' ' ' LEU . 6.9 mt -63.96 -38.95 92.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 49' ' ' VAL . 6.3 mm -62.38 -43.19 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.5 -38.67 88.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.584 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.425 HD13 HD21 ' A' ' 51' ' ' LEU . 9.5 mm -64.13 -43.44 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.407 HG13 HD11 ' C' ' 47' ' ' ILE . 88.5 mt -63.6 -41.72 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-O 121.519 0.676 . . . . 0.0 109.699 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.2 t -65.24 -43.68 95.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.955 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.43 -41.7 98.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.018 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.463 HD12 ' C ' ' B' ' 51' ' ' LEU . 4.5 pp -78.43 -20.93 50.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.746 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.083 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 . . . . . 0 CA--C 1.513 -0.471 0 CA-C-O 121.12 0.486 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.36 -42.3 86.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.183 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.652 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.29 -43.16 95.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.99 -39.88 93.72 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.172 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.3 -45.47 84.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.43 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.61 -43.35 80.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.088 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.25 -48.35 81.86 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.44 -44.21 90.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.24 -49.23 76.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.52 -40.84 98.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' B' ' 37' ' ' LEU . 4.1 m -63.23 -44.64 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.249 -0.581 . . . . 0.0 109.826 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' D' ' 36' ' ' CYS . 26.9 mt -61.91 -39.06 90.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.99 -42.64 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.53 -40.57 95.16 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.504 HG22 HD12 ' D' ' 40' ' ' ILE . 35.2 mm -63.58 -42.59 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' D' ' 40' ' ' ILE . 73.8 m -61.37 -44.59 96.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.68 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.9 mt -61.43 -42.87 99.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.532 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' D' ' 43' ' ' LEU . 6.9 mt -63.85 -38.83 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.63 -43.21 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.34 -38.82 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.422 HD13 HD21 ' B' ' 51' ' ' LEU . 9.3 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.406 HG13 HD11 ' D' ' 47' ' ' ILE . 85.8 mt -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 CA-C-O 121.399 0.619 . . . . 0.0 109.851 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.37 -43.57 94.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.55 -41.6 98.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.984 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.449 ' C ' HD12 ' C' ' 51' ' ' LEU . 4.4 pp -78.43 -20.71 50.49 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.523 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.197 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 . . . . . 0 CA--C 1.513 -0.462 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -58.56 -42.37 87.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.236 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -64.66 -41.2 96.25 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.43 -43.13 95.27 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.73 -39.96 93.39 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.182 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.33 -45.58 83.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.567 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.79 -43.37 79.88 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.982 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.03 -48.2 82.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.73 -44.07 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -62.28 -48.87 77.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.991 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -63.06 -40.47 97.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.836 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.568 ' CB ' HD13 ' C' ' 37' ' ' LEU . 3.9 m -63.45 -44.78 93.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.701 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' E' ' 36' ' ' CYS . 26.7 mt -61.82 -38.98 90.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.19 -42.43 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.73 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.516 HG22 HD12 ' E' ' 40' ' ' ILE . 34.7 mm -63.55 -42.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.5 m -61.52 -44.54 96.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.695 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.47 -40.46 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.7 mt -61.5 -42.91 99.52 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.425 ' HB2' HD13 ' E' ' 43' ' ' LEU . 6.8 mt -63.76 -38.96 93.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.416 ' O ' HG23 ' D' ' 49' ' ' VAL . 6.2 mm -62.28 -43.33 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.31 -38.88 88.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.574 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.417 HD13 HD21 ' C' ' 51' ' ' LEU . 9.2 mm -64.21 -43.4 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.414 HG13 HD11 ' E' ' 47' ' ' ILE . 88.0 mt -63.28 -42.07 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 CA-C-O 121.402 0.62 . . . . 0.0 109.749 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 49' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 45' ' ' ILE . 55.8 t -65.07 -43.76 95.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.831 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.54 -41.56 98.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.468 HD12 ' C ' ' D' ' 51' ' ' LEU . 4.4 pp -78.66 -20.55 49.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.417 ' N ' HD12 ' D' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.568 0 CA-C-O 117.877 -1.058 . . . . 0.0 110.191 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 . . . . . 0 CA--C 1.512 -0.498 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -58.4 -42.25 86.71 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -64.81 -41.26 95.92 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.416 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.27 -43.35 95.1 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.79 -40.01 93.7 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.144 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.2 -45.64 83.93 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.498 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.77 -43.48 79.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.693 0.283 . . . . 0.0 110.515 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.85 -44.23 89.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.28 -48.5 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.04 -40.71 98.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.8 m -63.38 -44.64 94.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.766 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.551 HD13 ' CB ' ' A' ' 36' ' ' CYS . 26.9 mt -61.78 -39.07 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.386 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.32 -42.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.42 -40.63 95.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.516 HD12 HG22 ' D' ' 40' ' ' ILE . 36.3 mm -63.65 -42.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' A' ' 40' ' ' ILE . 70.9 m -61.57 -44.56 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.703 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.25 -40.79 98.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' D' ' 44' ' ' LEU . 19.5 mt -61.24 -42.66 98.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.424 ' HB2' HD13 ' A' ' 43' ' ' LEU . 6.8 mt -64.29 -38.76 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.417 ' O ' HG23 ' E' ' 49' ' ' VAL . 6.2 mm -62.51 -43.06 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.52 -38.82 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.656 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.414 HD11 HG13 ' D' ' 48' ' ' ILE . 9.8 mm -64.05 -43.52 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.38 -41.95 94.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.434 0.635 . . . . 0.0 109.818 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 49' ' ' VAL . . . . . 0.417 HG23 ' O ' ' E' ' 45' ' ' ILE . 56.0 t -65.12 -43.73 95.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.57 -41.64 98.37 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.879 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 51' ' ' LEU . . . . . 0.452 ' C ' HD12 ' E' ' 51' ' ' LEU . 4.5 pp -78.56 -20.37 50.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.701 -1.142 . . . . 0.0 110.153 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 . . . . . 0 N--CA 1.461 0.122 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -64.05 -35.79 81.89 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.2 -38.0 89.43 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.528 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.24 -43.33 99.06 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 108.018 -1.104 . . . . 2.15 108.018 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.8 -42.35 97.42 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.156 -1.384 . . . . 2.58 107.809 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -62.58 -49.34 75.64 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.26 -0.576 . . . . 2.23 111.849 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.34 -44.89 93.56 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.813 -0.355 . . . . 2.23 111.289 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 21.3 t80 -57.45 -52.34 65.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.958 -0.756 . . . . 2.47 108.958 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.78 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.534 -0.466 . . . . 2.27 111.049 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.57 -53.14 61.55 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.692 -0.403 . . . . 2.36 110.046 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -57.55 -42.5 83.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.371 -0.377 . . . . 2.56 110.673 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 96.5 m -65.33 -37.04 85.88 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.203 -0.599 . . . . 1.99 110.776 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' B' ' 36' ' ' CYS . 21.8 mt -60.89 -41.34 95.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.19 -0.67 . . . . 2.14 109.19 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 38' ' ' ILE . 29.1 mm -64.13 -43.3 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.165 -0.68 . . . . 2.51 109.165 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.32 -42.16 99.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.04 -42.8 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.335 -0.617 . . . . 2.25 109.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.84 -43.81 98.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 2.32 108.791 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.01 -42.85 99.6 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.682 0.277 . . . . 2.18 110.28 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.17 -42.68 95.49 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.051 -0.722 . . . . 2.35 109.051 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.992 -0.549 . . . . 2.31 109.951 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.41 -42.62 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.338 -0.616 . . . . 2.12 109.338 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.83 -39.3 88.49 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.427 -0.583 . . . . 2.26 109.427 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -65.13 -41.57 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.953 -0.567 . . . . 2.33 109.92 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.599 HG23 ' SD ' ' B' ' 50' ' ' MET . 77.9 mt -64.01 -43.96 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 121.425 0.631 . . . . 2.35 109.32 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.01 -44.2 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.393 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.582 ' SD ' HG23 ' E' ' 48' ' ' ILE . 51.3 mtt -64.35 -39.41 93.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.814 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.23 -38.11 89.87 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.932 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -63.37 -37.73 88.39 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.35 -35.26 78.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.412 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.38 -42.87 98.86 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.54 -38.94 91.99 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.006 -1.452 . . . . 0.0 108.553 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -64.65 -49.98 68.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.24 -42.87 96.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.877 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 21.8 t80 -59.53 -49.58 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.594 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -64.22 -43.87 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -61.07 -47.92 84.12 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.4 -42.45 99.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.204 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 97.5 m -64.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.653 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' C' ' 36' ' ' CYS . 22.2 mt -59.83 -42.2 93.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.59 -43.15 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.2 -42.53 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.724 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.01 -43.24 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 97.0 m -62.14 -42.67 99.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.491 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.7 -41.4 99.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.085 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.72 -42.65 99.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.83 -39.68 94.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.836 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.23 -42.57 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.5 m -60.63 -39.59 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -64.84 -42.46 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.1 mt -63.35 -42.8 97.64 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 121.347 0.594 . . . . 0.0 109.661 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.39 -44.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.106 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.599 ' SD ' HG23 ' A' ' 48' ' ' ILE . 51.7 mtt -64.03 -39.67 94.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.738 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.87 -38.6 91.7 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.715 179.797 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -62.97 -37.68 88.08 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 109.946 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.55 -35.53 79.74 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.321 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 16.4 mt -63.02 -42.92 99.91 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.57 -38.79 91.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.965 -1.471 . . . . 0.0 108.611 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -64.73 -49.94 68.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -43.07 96.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 21.7 t80 -59.61 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.644 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.97 -43.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.98 -48.23 82.77 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.836 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.31 -42.41 99.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.088 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 96.9 m -64.6 -38.11 89.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' D' ' 36' ' ' CYS . 22.3 mt -60.0 -41.67 92.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.86 -43.11 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.27 -42.42 99.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 32.7 mm -63.08 -43.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.1 -42.49 99.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.555 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.05 -41.4 99.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.19 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.68 -42.89 99.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.7 -39.76 95.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.811 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.23 -42.72 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.5 m -60.51 -39.55 88.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.91 -42.54 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.877 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.593 HG23 ' SD ' ' D' ' 50' ' ' MET . 79.4 mt -63.35 -42.72 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-O 121.411 0.624 . . . . 0.0 109.745 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.29 -44.66 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.044 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' B' ' 48' ' ' ILE . 52.4 mtt -63.81 -39.71 94.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -38.04 89.61 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.655 179.741 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -63.08 -37.73 88.38 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.059 0.457 . . . . 0.0 110.057 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.48 -35.65 80.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.158 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.88 -43.04 99.86 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.43 -38.95 91.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.009 -1.45 . . . . 0.0 108.599 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -64.55 -50.01 69.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -42.94 96.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.782 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 21.5 t80 -59.65 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.665 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.97 -43.79 97.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.06 -48.1 83.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 95.5 m -64.57 -38.15 90.0 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' E' ' 36' ' ' CYS . 22.4 mt -59.9 -41.74 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 38' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' D' ' 38' ' ' ILE . 29.3 mm -63.94 -43.12 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.32 -42.38 99.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.681 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 32.6 mm -63.04 -43.15 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.47 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.213 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.73 -42.81 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.73 -39.67 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.854 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.25 -42.63 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -60.72 -39.39 88.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.592 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.97 -42.44 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.82 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' E' ' 50' ' ' MET . 79.5 mt -63.47 -42.87 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.19 -44.45 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.593 ' SD ' HG23 ' C' ' 48' ' ' ILE . 52.0 mtt -63.9 -39.7 94.79 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.845 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.89 -38.33 90.68 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.643 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -63.48 -37.77 88.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.042 0.449 . . . . 0.0 109.996 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.45 -35.31 78.89 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.401 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 17.0 mt -63.26 -42.87 99.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.6 -38.98 92.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -64.48 -50.07 68.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.709 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.3 -43.01 96.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.8 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 32' ' ' PHE . . . . . 0.496 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 21.8 t80 -59.45 -49.48 77.64 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.6 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.217 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.98 -48.12 83.29 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.34 -42.39 99.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.501 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -64.53 -38.34 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 36' ' ' CYS . 22.0 mt -59.85 -41.97 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -63.75 -43.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.04 -43.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.17 -42.59 99.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.428 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.78 -41.57 99.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.58 -42.75 99.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.69 -39.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.693 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.01 -42.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.7 m -60.65 -39.61 88.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.87 -42.44 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.582 HG23 ' SD ' ' A' ' 50' ' ' MET . 79.2 mt -63.32 -42.88 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 109.676 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.29 -44.31 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.22 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' D' ' 48' ' ' ILE . 51.8 mtt -63.98 -39.83 95.01 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.791 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.73 -38.35 90.78 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.737 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.66 ' HE ' HE21 ' E' ' 26' ' ' GLN . 92.4 mtm-85 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -65.89 -43.14 89.16 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.035 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -62.08 -50.25 72.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.622 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.45 -43.21 99.27 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 109.029 -0.73 . . . . 1.9 109.029 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' A' ' 33' ' ' ILE . 7.3 tt0 -56.56 -37.94 71.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.832 -1.531 . . . . 2.38 108.924 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.12 -41.29 90.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 2.49 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.64 -48.14 70.36 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 119.689 -0.804 . . . . 2.44 111.306 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.92 -55.6 32.87 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.163 -0.615 . . . . 2.62 109.903 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 37' ' ' LEU . 88.5 mt -61.15 -44.72 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.883 -0.599 . . . . 2.34 112.331 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.75 -49.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 119.241 -0.984 . . . . 2.24 110.01 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' ILE . 12.1 m-30 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.185 -0.606 . . . . 2.59 110.608 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -66.41 -37.61 85.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.223 -0.591 . . . . 2.33 110.746 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 33' ' ' ILE . 21.9 mt -63.45 -40.09 96.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.149 -0.478 . . . . 2.02 109.871 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 22.9 mt -63.22 -43.74 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 108.477 -0.935 . . . . 2.29 108.477 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.2 -41.31 96.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 2.35 110.122 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 37' ' ' LEU . 24.7 mt -63.64 -43.56 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 109.437 -0.579 . . . . 2.31 109.437 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.71 -45.21 94.94 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.73 -0.841 . . . . 2.37 108.73 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.69 -42.23 98.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.761 -0.459 . . . . 2.22 109.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' E' ' 44' ' ' LEU . 19.2 mt -60.39 -42.34 95.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.384 -0.599 . . . . 2.28 109.384 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' B' ' 43' ' ' LEU . 13.0 mt -63.82 -41.17 97.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.35 0.595 . . . . 2.49 109.654 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 2.42 109.588 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.3 -36.91 81.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.394 -0.821 . . . . 2.37 109.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.26 -40.5 88.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.628 -0.714 . . . . 2.37 110.588 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.2 -42.21 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 108.872 -0.788 . . . . 2.44 108.872 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.83 -45.97 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.539 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -62.68 -40.75 98.06 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.911 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.96 -42.25 94.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.068 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 . . . . . 0 C--O 1.223 -0.317 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.46 -43.63 89.73 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.702 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.86 -45.5 92.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.49 -42.89 91.69 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' B' ' 33' ' ' ILE . 54.7 tt0 -56.81 -37.96 71.91 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.556 -1.656 . . . . 0.0 108.781 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -65.89 -43.02 89.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.626 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.45 -44.82 86.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.078 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.62 -50.96 69.15 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.48 HG22 HD12 ' B' ' 37' ' ' LEU . 85.4 mt -64.63 -44.31 96.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.04 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.7 -47.33 81.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.411 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' B' ' 38' ' ' ILE . 12.6 m-30 -60.86 -42.77 98.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.119 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 99.1 m -66.46 -38.43 87.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.677 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.48 HD12 HG22 ' B' ' 33' ' ' ILE . 22.6 mt -62.46 -40.23 95.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' B' ' 35' ' ' PHE . 24.1 mt -63.15 -42.91 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.878 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.2 mt -63.61 -43.6 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.65 -43.49 98.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.85 -40.84 98.7 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.742 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 44' ' ' LEU . 18.1 mt -62.3 -42.09 99.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.473 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.2 mt -64.01 -41.7 97.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.547 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.82 -43.62 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.632 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.15 -37.18 81.92 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.721 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.52 -42.78 96.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.195 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.05 -42.26 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -44.5 98.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.026 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.7 mmm -63.91 -41.25 97.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.586 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.68 -42.4 95.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 26' ' ' GLN . . . . . 0.686 HE21 ' HE ' ' D' ' 25' ' ' ARG . 10.5 mt-30 -65.22 -43.7 90.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.666 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.97 -45.32 92.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 22.5 mt -65.48 -43.05 91.46 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' C' ' 33' ' ' ILE . 7.4 tt0 -56.62 -37.81 71.22 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.808 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.06 -42.65 89.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.775 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.79 -44.94 84.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.051 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.65 -50.84 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.616 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.492 HG22 HD12 ' C' ' 37' ' ' LEU . 85.1 mt -64.81 -44.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.851 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.57 -46.95 83.51 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' C' ' 38' ' ' ILE . 12.5 m-30 -61.14 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.023 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -66.28 -38.52 88.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.805 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.492 HD12 HG22 ' C' ' 33' ' ' ILE . 22.2 mt -62.57 -40.12 95.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.033 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' C' ' 35' ' ' PHE . 23.4 mt -63.33 -42.76 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' C' ' 37' ' ' LEU . 24.6 mt -63.75 -43.27 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.65 -43.58 98.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.301 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.92 -40.84 98.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.0 mt -62.28 -41.99 98.96 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.2 mt -63.83 -41.76 97.76 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.672 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.95 -43.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.591 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.54 -36.99 82.16 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.646 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.7 -42.51 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.84 -42.4 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.76 -44.61 98.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.125 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.77 -41.25 98.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.519 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.78 -42.48 95.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.66 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 25' ' ' ARG . . . . . 0.686 ' HE ' HE21 ' C' ' 26' ' ' GLN . 92.0 mtm-85 . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.13 -43.96 90.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 23.6 mt -65.77 -42.93 90.26 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 29' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' D' ' 33' ' ' ILE . 7.4 tt0 -56.53 -37.89 71.1 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.86 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.94 -42.9 89.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.75 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.71 -44.8 84.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.998 -0.681 . . . . 0.0 112.047 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.79 -50.93 69.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.593 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.482 HG22 HD12 ' D' ' 37' ' ' LEU . 85.6 mt -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.938 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.82 -46.93 82.87 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.432 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.407 ' HA ' HD12 ' D' ' 38' ' ' ILE . 12.5 m-30 -61.03 -43.17 99.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 99.2 m -66.22 -38.85 88.92 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.712 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.482 HD12 HG22 ' D' ' 33' ' ' ILE . 21.6 mt -62.4 -40.08 95.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.939 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 38' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' D' ' 35' ' ' PHE . 23.6 mt -63.33 -42.85 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.75 -41.53 97.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.76 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' D' ' 37' ' ' LEU . 24.6 mt -63.52 -43.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.147 0.499 . . . . 0.0 109.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 95.2 m -62.46 -43.67 98.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.334 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.84 -40.99 99.14 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.3 mt -62.09 -42.21 98.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.2 mt -63.7 -41.75 98.06 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.726 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.86 -43.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.692 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.18 -37.3 82.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.741 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.36 -42.82 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.62 -42.62 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.617 0.722 . . . . 0.0 109.126 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.77 -44.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.098 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -63.85 -41.26 97.83 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.505 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.77 -42.38 95.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.574 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 26' ' ' GLN . . . . . 0.66 HE21 ' HE ' ' A' ' 25' ' ' ARG . 10.4 mt-30 -65.06 -43.69 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.888 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.12 -45.21 93.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 23.7 mt -65.51 -42.97 91.51 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' E' ' 33' ' ' ILE . 54.8 tt0 -56.67 -37.91 71.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.94 -42.9 89.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.622 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -44.73 85.39 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.084 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.71 -50.95 69.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.535 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 33' ' ' ILE . . . . . 0.488 HG22 HD12 ' E' ' 37' ' ' LEU . 85.9 mt -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.93 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.75 -46.98 82.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.465 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.424 ' HA ' HD12 ' E' ' 38' ' ' ILE . 12.5 m-30 -61.0 -43.06 99.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.19 -38.73 88.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.488 HD12 HG22 ' E' ' 33' ' ' ILE . 22.6 mt -62.5 -39.92 95.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 38' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' E' ' 35' ' ' PHE . 23.8 mt -63.58 -42.75 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.94 -41.19 97.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.914 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' E' ' 37' ' ' LEU . 25.3 mt -63.85 -43.47 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 97.3 m -62.61 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.9 -40.9 98.97 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' D' ' 44' ' ' LEU . 18.2 mt -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' A' ' 43' ' ' LEU . 13.3 mt -63.98 -41.63 97.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.535 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.96 -43.57 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.21 -37.34 82.64 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.824 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.27 -42.79 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.105 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.96 -42.57 96.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.63 -44.59 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.98 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.87 -41.08 97.84 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.512 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.88 -42.07 95.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.471 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 121.051 0.453 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.7 -40.37 96.63 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.742 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.32 -43.8 96.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.65 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 13.5 mt -61.24 -42.93 99.46 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.858 -0.793 . . . . 2.17 108.858 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.63 -38.98 92.34 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 113.875 -1.511 . . . . 2.61 108.168 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.63 -47.86 81.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.909 -0.587 . . . . 2.2 110.578 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.13 -45.18 89.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.489 -0.485 . . . . 2.27 111.167 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.75 -52.78 64.06 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.819 -0.753 . . . . 2.55 109.241 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.7 -0.4 . . . . 2.28 111.492 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -58.29 -52.43 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.378 -0.529 . . . . 2.38 110.259 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -59.33 -42.89 92.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.958 -0.564 . . . . 2.55 110.293 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.555 ' HB3' HD22 ' E' ' 37' ' ' LEU . 20.8 m -64.44 -38.98 92.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.275 -0.57 . . . . 2.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 36' ' ' CYS . 19.7 mt -61.83 -41.94 98.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.582 -0.525 . . . . 2.21 109.582 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -64.26 -44.32 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 115.727 -0.67 . . . . 2.54 109.342 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.01 -41.2 99.5 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.335 -0.393 . . . . 2.23 110.509 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.65 -43.12 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.871 -0.789 . . . . 2.21 108.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -62.52 -41.43 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.133 -0.94 . . . . 2.35 109.113 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.4 mt -62.44 -42.75 99.68 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.782 -0.367 . . . . 2.17 110.106 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.79 -41.74 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.726 -0.472 . . . . 2.3 109.726 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.69 -40.83 98.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.017 -0.735 . . . . 2.45 109.017 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.1 mt -64.94 -42.86 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 2.21 109.283 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.66 -34.95 78.14 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.645 -0.707 . . . . 2.27 109.799 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' E' ' 48' ' ' ILE . 12.5 mt -66.68 -40.21 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-O 121.33 0.586 . . . . 2.4 110.663 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.0 mt -66.95 -42.42 88.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.124 -0.944 . . . . 2.18 110.118 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.84 -48.18 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.263 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.43 ' HB3' HD22 ' E' ' 52' ' ' LEU . 81.1 mmm -62.81 -46.94 85.61 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.229 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.06 -39.39 79.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.691 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.761 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.71 -40.04 95.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.86 -39.25 91.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.05 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.88 -43.27 93.46 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.02 -35.27 79.66 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.966 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -65.08 -48.52 73.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.692 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.56 -43.43 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.628 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 9.3 t80 -60.1 -49.53 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.939 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -43.32 94.84 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.619 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -60.85 -49.52 77.15 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.45 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.41 99.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' A' ' 37' ' ' LEU . 20.8 m -64.16 -39.68 94.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' C' ' 36' ' ' CYS . 20.5 mt -61.19 -42.0 97.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -64.27 -43.65 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.48 -40.79 98.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.96 -43.52 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.71 -41.32 99.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.555 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' B' ' 45' ' ' ILE . 31.5 mt -62.06 -41.72 98.44 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.3 -41.65 98.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.0 -41.34 99.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.9 mt -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.38 -35.86 78.66 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.858 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' CG1' ' A' ' 48' ' ' ILE . 12.8 mt -65.42 -43.34 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.109 0.481 . . . . 0.0 109.921 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.417 ' CG1' HG13 ' C' ' 47' ' ' ILE . 75.4 mt -64.28 -43.21 97.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.147 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.22 -46.66 80.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.856 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 80.9 mmm -63.42 -47.72 80.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.713 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.07 -39.21 79.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.959 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.714 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.63 -40.05 95.91 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.76 -39.49 91.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.942 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.71 -43.15 94.36 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.17 -35.45 80.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.693 -1.594 . . . . 0.0 109.051 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.88 -48.65 73.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.51 -43.33 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.688 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' PHE . . . . . 0.403 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 9.0 t80 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.923 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.38 -43.56 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.53 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -60.84 -49.5 77.21 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.429 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -62.52 -42.42 99.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' B' ' 37' ' ' LEU . 20.0 m -64.2 -39.64 94.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' D' ' 36' ' ' CYS . 20.3 mt -60.97 -41.95 97.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.25 -41.04 99.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.93 -43.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.78 -41.23 99.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.457 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' C' ' 45' ' ' ILE . 31.6 mt -62.1 -41.97 98.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.161 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.19 -41.61 99.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.01 -41.32 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.0 mt -64.46 -43.66 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.47 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.417 HG13 ' CG1' ' B' ' 48' ' ' ILE . 12.3 mt -65.86 -43.21 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-O 121.085 0.469 . . . . 0.0 109.956 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.405 ' CG1' HG13 ' D' ' 47' ' ' ILE . 76.0 mt -64.33 -43.15 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.17 -46.51 81.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.893 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.435 ' HB3' HD13 ' B' ' 52' ' ' LEU . 80.5 mmm -63.54 -47.47 81.47 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.724 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.18 -39.39 78.74 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.961 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.61 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.49 -40.0 95.94 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.87 -39.54 92.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 16.1 mt -64.82 -42.97 94.54 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.41 -35.17 79.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.028 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.16 -48.66 72.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.529 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.43 -43.47 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -60.23 -49.29 78.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.895 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.44 -43.62 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -60.69 -49.39 77.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.47 -42.47 99.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.148 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' C' ' 37' ' ' LEU . 20.5 m -64.18 -39.57 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' E' ' 36' ' ' CYS . 20.3 mt -61.16 -41.98 97.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.51 -43.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.88 -43.54 98.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.541 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' D' ' 45' ' ' ILE . 31.2 mt -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.25 -41.59 99.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.1 -41.33 99.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' D' ' 42' ' ' LEU . 24.9 mt -64.53 -43.5 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -61.44 -35.33 77.26 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.405 HG13 ' CG1' ' C' ' 48' ' ' ILE . 12.2 mt -66.01 -43.24 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' E' ' 47' ' ' ILE . 77.0 mt -64.14 -43.23 97.37 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.098 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.34 -46.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.912 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.43 ' HB3' HD13 ' C' ' 52' ' ' LEU . 80.6 mmm -63.75 -47.24 81.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.682 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.25 -39.48 78.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.88 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.53 -40.08 96.09 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.88 -39.36 91.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.84 -43.32 93.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.02 -35.2 79.44 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -65.03 -48.57 73.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -43.25 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 32' ' ' PHE . . . . . 0.413 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 9.2 t80 -60.41 -49.39 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.866 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.36 -43.51 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.533 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -60.79 -49.4 77.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.58 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.565 ' HB3' HD22 ' D' ' 37' ' ' LEU . 20.0 m -63.93 -39.76 94.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 36' ' ' CYS . 20.6 mt -61.18 -42.16 98.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.07 -43.73 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.91 98.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.06 -43.59 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.2 m -62.62 -41.43 99.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.554 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' E' ' 45' ' ' ILE . 32.0 mt -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.244 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.38 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.2 mt -64.39 -43.68 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -61.39 -35.61 77.97 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' D' ' 48' ' ' ILE . 12.1 mt -65.5 -43.52 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.02 0.438 . . . . 0.0 110.023 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' A' ' 47' ' ' ILE . 76.7 mt -64.07 -43.09 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.38 -46.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.967 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.426 ' HB3' HD13 ' D' ' 52' ' ' LEU . 80.9 mmm -63.86 -47.24 81.52 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.35 -39.22 78.26 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.936 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.518 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.717 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -34.4 77.56 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -67.94 -48.4 66.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.121 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 mt -64.62 -42.58 95.41 Favored 'General case' 0 CA--C 1.484 -1.594 0 N-CA-C 108.815 -0.809 . . . . 1.95 108.815 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -56.87 -40.23 75.78 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.586 -1.643 . . . . 1.99 107.795 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -65.59 -37.54 86.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.483 -1.235 . . . . 2.82 111.109 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.72 -48.3 60.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.306 -0.558 . . . . 2.49 110.775 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.56 -42.21 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.533 -0.467 . . . . 2.38 111.602 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.51 -43.62 83.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 2.37 109.919 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.85 -46.21 90.43 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.019 -0.537 . . . . 2.19 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.2 t80 -61.8 -45.28 94.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.018 0.437 . . . . 2.39 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.73 -38.73 92.19 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.803 -0.759 . . . . 2.62 109.827 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -65.4 -36.29 83.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.75 -0.659 . . . . 2.05 109.582 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.04 -42.43 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.918 -1.142 . . . . 1.92 107.918 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.6 mt -58.02 -41.59 83.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.762 -0.829 . . . . 2.45 108.762 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.518 HD11 ' SG ' ' E' ' 41' ' ' CYS . 29.4 mm -62.13 -42.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.874 -0.787 . . . . 2.35 108.874 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' B' ' 40' ' ' ILE . 60.4 m -59.58 -50.2 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.79 -0.641 . . . . 2.22 109.666 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 45' ' ' ILE . 79.2 mt -61.4 -44.15 97.64 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.022 0.439 . . . . 2.45 111.436 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' E' ' 44' ' ' LEU . 41.7 mt -61.36 -42.4 98.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.876 -0.602 . . . . 2.37 110.071 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' LEU . 29.4 mt -62.57 -38.08 88.68 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.557 -0.457 . . . . 2.18 110.0 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.0 mt -60.09 -41.3 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.612 -0.885 . . . . 2.33 108.612 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.7 m -59.4 -38.32 80.26 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.551 -0.537 . . . . 2.28 109.551 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 HG13 ' E' ' 48' ' ' ILE . 46.5 mm -64.69 -41.85 93.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.852 -0.425 . . . . 2.29 109.852 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' B' ' 47' ' ' ILE . 97.4 mt -63.18 -43.68 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 108.447 -0.946 . . . . 2.8 108.447 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.83 -43.19 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.335 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.72 -38.24 90.32 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.49 -42.04 96.09 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.411 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 120.954 0.407 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -36.98 83.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -66.49 -46.26 76.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.287 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.58 -43.19 90.5 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -57.44 -38.36 74.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.474 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -66.11 -42.06 89.75 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.91 -44.18 85.96 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.47 -46.07 90.16 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.42 -44.02 94.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.629 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.99 -46.56 88.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.3 t80 -60.57 -45.62 93.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.511 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.53 -40.86 98.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.645 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.6 -36.41 83.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.899 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -39.99 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 94.3 mt -60.35 -41.1 92.93 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 41' ' ' CYS . 29.5 mm -61.94 -42.93 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' C' ' 40' ' ' ILE . 60.1 m -59.79 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.018 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' B' ' 45' ' ' ILE . 81.6 mt -61.74 -43.33 99.06 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.412 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 40.4 mt -62.45 -42.52 99.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.419 ' CD1' HG23 ' C' ' 40' ' ' ILE . 28.6 mt -62.56 -37.5 86.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.068 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.6 mt -60.76 -41.29 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.62 -38.15 80.53 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 48' ' ' ILE . 46.8 mm -64.37 -42.59 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' C' ' 47' ' ' ILE . 96.8 mt -62.85 -43.06 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.39 -42.88 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 86.8 mmm -64.84 -38.46 91.05 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.812 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.41 -41.91 96.36 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.421 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -37.45 85.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.502 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -65.99 -46.34 78.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.345 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.62 -43.1 90.58 Favored 'General case' 0 CA--C 1.488 -1.406 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.54 -38.74 75.21 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.271 -1.786 . . . . 0.0 108.579 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.75 -41.91 91.55 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.114 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.1 85.37 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -62.3 -46.37 89.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.009 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.46 -44.13 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.64 -46.41 89.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.2 t80 -60.86 -46.03 92.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.31 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.02 -40.9 99.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.706 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.51 -36.3 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.61 -40.55 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 95.3 mt -59.74 -41.22 90.46 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.509 HD11 ' SG ' ' B' ' 41' ' ' CYS . 29.8 mm -61.89 -43.01 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' D' ' 40' ' ' ILE . 59.5 m -59.79 -49.44 77.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.054 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' C' ' 45' ' ' ILE . 81.8 mt -61.8 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.384 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 44' ' ' LEU . 41.3 mt -62.64 -42.38 99.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.075 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' C' ' 44' ' ' LEU . 29.0 mt -62.9 -37.19 85.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.144 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.5 mt -60.93 -41.52 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.49 -38.19 80.25 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' B' ' 48' ' ' ILE . 46.9 mm -64.25 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' D' ' 47' ' ' ILE . 96.5 mt -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.35 -42.91 97.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -65.02 -38.58 91.38 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.37 -42.12 96.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.493 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.52 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -37.31 85.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.402 HD22 ' HG2' ' E' ' 25' ' ' ARG . 29.5 m120 -66.24 -46.24 77.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.65 -43.03 90.66 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -57.72 -38.38 75.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.321 -1.763 . . . . 0.0 108.379 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -66.04 -42.02 90.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.186 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.11 85.35 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -62.38 -46.31 89.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.92 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.41 -43.85 94.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.09 -46.36 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.3 t80 -60.65 -45.86 92.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.384 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -63.55 -40.68 97.63 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.66 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.58 -36.15 82.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.034 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.66 -40.46 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 95.0 mt -59.92 -41.21 91.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.53 HD11 ' SG ' ' C' ' 41' ' ' CYS . 29.2 mm -61.8 -43.04 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' E' ' 40' ' ' ILE . 59.7 m -60.01 -49.35 78.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' D' ' 45' ' ' ILE . 82.3 mt -62.01 -42.95 99.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.34 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.7 -42.33 99.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.076 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' E' ' 40' ' ' ILE . 28.0 mt -62.81 -37.2 85.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.162 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' D' ' 42' ' ' LEU . 25.1 mt -60.89 -41.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.51 -38.4 80.86 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' C' ' 48' ' ' ILE . 46.6 mm -64.03 -42.65 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' E' ' 47' ' ' ILE . 95.9 mt -62.8 -42.79 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.64 -42.92 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.92 -38.44 90.96 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.22 -42.17 96.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.492 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 25' ' ' ARG . . . . . 0.402 ' HG2' HD22 ' D' ' 27' ' ' ASN . 99.6 mtt180 . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -37.32 85.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.5 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -66.23 -46.05 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.376 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -42.75 89.83 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -57.63 -38.65 75.35 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.406 -1.724 . . . . 0.0 108.441 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.7 -44.24 86.76 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.18 -46.49 88.72 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.949 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.3 -44.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.566 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.672 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.2 t80 -60.74 -45.67 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.309 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.57 -40.86 98.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.668 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.62 -36.49 84.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.22 -40.13 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 95.0 mt -60.37 -41.1 93.02 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.528 HD11 ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.79 -42.95 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.518 ' SG ' HD11 ' A' ' 40' ' ' ILE . 60.0 m -60.06 -49.24 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.049 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' E' ' 45' ' ' ILE . 80.7 mt -61.8 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.159 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 44' ' ' LEU . 40.6 mt -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.976 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' E' ' 44' ' ' LEU . 27.9 mt -62.58 -37.44 86.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' E' ' 42' ' ' LEU . 24.8 mt -60.89 -41.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.64 -38.11 80.51 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 47' ' ' ILE . . . . . 0.425 HD11 HG13 ' D' ' 48' ' ' ILE . 46.9 mm -64.38 -42.69 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 47' ' ' ILE . 97.6 mt -62.66 -43.11 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.37 -42.89 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.277 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -64.87 -38.5 91.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.26 -41.93 96.71 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.357 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.221 -0.399 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.17 -44.24 84.6 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.992 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.68 -47.73 82.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.79 -42.06 97.81 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 108.425 -0.954 . . . . 2.21 108.425 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.49 -41.43 80.7 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.651 -1.613 . . . . 2.05 107.854 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -43.06 99.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.304 -0.862 . . . . 2.47 110.041 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.11 -45.61 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.338 -0.545 . . . . 2.46 111.866 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -59.37 -52.98 63.3 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.099 -0.64 . . . . 2.51 109.825 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.95 -45.33 98.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.877 -0.601 . . . . 2.41 112.147 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.65 -48.07 80.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.056 -0.658 . . . . 2.27 109.97 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -60.72 -43.31 98.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.719 0.295 . . . . 2.33 110.759 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 2.6 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.224 0.535 . . . . 2.43 110.427 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' B' ' 36' ' ' CYS . 31.4 mt -64.02 -40.69 96.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.312 -0.858 . . . . 2.3 109.798 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.49 -45.54 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.777 -0.823 . . . . 2.06 108.777 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 mt -58.08 -41.84 84.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 2.23 109.846 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.8 mt -63.61 -43.54 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.423 -0.511 . . . . 2.44 109.683 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.4 m -60.32 -47.56 85.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.546 -0.909 . . . . 2.39 108.546 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -59.97 -43.35 95.14 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.782 0.325 . . . . 2.18 110.277 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' E' ' 44' ' ' LEU . 45.1 mt -59.0 -42.13 89.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.739 -0.664 . . . . 2.29 109.266 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' HD13 ' B' ' 43' ' ' LEU . 55.1 mt -65.34 -42.28 93.04 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.272 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.69 -47.67 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.27 -0.641 . . . . 2.47 109.27 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -58.17 -43.72 87.59 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.756 -0.656 . . . . 2.55 109.928 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.71 -38.23 82.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.979 -0.555 . . . . 2.2 110.629 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.534 ' O ' HD13 ' A' ' 52' ' ' LEU . 17.6 mt -62.88 -45.17 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 108.869 -0.789 . . . . 2.31 108.869 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.33 -45.55 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.721 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.808 ' SD ' HD11 ' E' ' 52' ' ' LEU . 74.1 mtm -64.37 -42.23 96.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.079 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -73.33 -28.05 61.85 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.804 HD11 ' SD ' ' B' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.53 -1.224 . . . . 0.0 109.183 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.47 -44.48 82.59 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.313 0.383 . . . . 0.0 110.896 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.3 -45.01 93.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.03 0.443 . . . . 0.0 111.563 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.18 -41.65 89.96 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -58.66 -38.49 78.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.539 -1.664 . . . . 0.0 108.425 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.82 -44.54 89.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.94 -44.75 88.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -60.99 -49.46 77.34 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.464 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.05 -44.94 95.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.945 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.48 -46.29 86.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.611 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.23 -43.08 99.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 3.5 m -64.26 -42.87 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.19 0.519 . . . . 0.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' C' ' 36' ' ' CYS . 34.8 mt -62.65 -40.04 95.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.163 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.45 -43.32 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.41 -41.89 94.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.632 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.0 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.055 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.46 98.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.34 -41.37 98.86 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.074 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 44' ' ' LEU . 45.1 mt -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' C' ' 43' ' ' LEU . 57.0 mt -64.64 -42.31 95.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.044 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.69 -43.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.147 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.84 -43.71 98.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.476 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.42 -40.6 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.306 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.542 ' O ' HD13 ' B' ' 52' ' ' LEU . 18.4 mt -61.51 -43.76 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.447 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.53 -45.39 85.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.566 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.804 ' SD ' HD11 ' A' ' 52' ' ' LEU . 73.2 mtm -64.44 -42.28 96.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.191 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.429 HD12 ' C ' ' B' ' 51' ' ' LEU . 0.5 OUTLIER -72.92 -28.53 62.51 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.207 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' C' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.723 -1.132 . . . . 0.0 109.51 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.222 -0.349 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.022 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.34 -45.56 90.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.021 0.439 . . . . 0.0 111.545 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 12.1 mt -65.65 -41.84 92.11 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.46 -38.39 77.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.352 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.04 -44.47 88.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.539 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -44.59 88.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.2 -49.35 77.53 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.599 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.28 -44.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.86 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.43 -46.54 85.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.567 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -61.87 -43.53 98.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.15 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 3.8 m -64.08 -42.7 96.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.128 0.49 . . . . 0.0 110.153 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' D' ' 36' ' ' CYS . 34.0 mt -62.61 -40.31 96.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.109 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.16 -43.33 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.454 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.33 -41.95 94.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.728 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.99 -43.32 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.03 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.78 98.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.589 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.0 -41.58 99.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' B' ' 44' ' ' LEU . 44.3 mt -61.46 -42.62 99.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' D' ' 43' ' ' LEU . 56.8 mt -64.54 -42.38 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.39 -44.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.931 0.396 . . . . 0.0 110.141 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.74 -43.53 98.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.8 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.271 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' C' ' 52' ' ' LEU . 17.8 mt -61.51 -43.84 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.265 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.6 t -67.52 -45.2 85.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.564 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' B' ' 52' ' ' LEU . 73.0 mtm -64.58 -42.01 95.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.191 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -73.26 -28.93 62.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.112 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 52' ' ' LEU . . . . . 0.791 HD11 ' SD ' ' D' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.475 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.221 -0.406 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.26 -44.29 84.03 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.98 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.36 -45.39 91.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.439 . . . . 0.0 111.528 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.7 -41.78 91.95 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.44 -38.66 77.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.385 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.75 -44.43 90.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.618 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.26 -44.54 87.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.19 -49.29 77.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.514 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.15 -45.05 95.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.935 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.41 -46.55 85.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -61.73 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 3.9 m -64.23 -42.82 96.39 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' E' ' 36' ' ' CYS . 33.6 mt -62.44 -40.35 96.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.99 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.502 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.32 -41.78 94.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.565 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.33 -43.15 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.077 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.19 -43.57 98.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.488 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.08 -41.7 99.48 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' C' ' 44' ' ' LEU . 44.5 mt -61.51 -42.47 98.85 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' E' ' 43' ' ' LEU . 56.6 mt -64.54 -42.37 95.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.034 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.9 mm -63.53 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.82 -43.37 98.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.513 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.99 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.18 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 48' ' ' ILE . . . . . 0.556 ' O ' HD13 ' D' ' 52' ' ' LEU . 18.3 mt -61.6 -43.81 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.37 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.49 -45.4 85.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.566 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.791 ' SD ' HD11 ' C' ' 52' ' ' LEU . 73.3 mtm -64.27 -42.25 96.53 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.24 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.423 HD12 ' C ' ' D' ' 51' ' ' LEU . 0.5 OUTLIER -73.22 -28.76 62.35 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.211 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' E' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.273 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.222 -0.354 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.4 -44.3 83.39 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 123.277 0.361 . . . . 0.0 110.985 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -63.31 -45.64 90.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 111.449 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.49 -41.81 92.85 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.5 -38.59 78.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.394 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.73 -44.36 90.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.722 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.29 -44.62 87.41 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.206 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -61.02 -49.24 78.22 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.443 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.32 -44.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.987 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.45 -46.51 85.91 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.48 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -62.07 -43.27 99.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.079 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 36' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 3.6 m -64.12 -42.71 96.75 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.286 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 34.5 mt -62.66 -40.18 96.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.16 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.16 -43.72 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 61.8 mt -60.35 -41.78 94.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.573 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.11 -43.57 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 83.7 m -62.0 -43.45 98.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.34 -41.32 98.87 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.056 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 43.9 mt -61.74 -42.53 99.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.487 ' HB2' HD13 ' A' ' 43' ' ' LEU . 57.1 mt -64.43 -42.58 95.95 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.033 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.43 -44.03 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.87 -43.54 98.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.509 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.78 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.233 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 48' ' ' ILE . . . . . 0.559 ' O ' HD13 ' E' ' 52' ' ' LEU . 18.5 mt -61.67 -43.5 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.433 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.73 -45.21 85.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.567 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' D' ' 52' ' ' LEU . 73.4 mtm -64.45 -42.29 96.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.128 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 51' ' ' LEU . . . . . 0.429 ' C ' HD12 ' E' ' 51' ' ' LEU . 0.5 OUTLIER -73.0 -28.6 62.46 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.232 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 52' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.482 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -65.89 -25.34 67.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.331 0.586 . . . . 0.0 110.653 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.85 -37.7 67.33 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.192 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 7.2 mt -65.27 -49.24 70.33 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.191 0.52 . . . . 2.3 110.845 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.85 -37.59 87.42 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.144 -1.058 . . . . 1.89 108.144 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.03 -47.96 83.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.686 -0.806 . . . . 2.54 110.096 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.19 -42.93 83.35 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.032 -0.667 . . . . 2.52 111.287 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.82 -44.49 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 118.375 0.534 . . . . 2.39 112.069 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.59 -44.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.576 -0.45 . . . . 2.51 109.928 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.42 -44.3 97.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.15 109.44 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.567 -0.288 . . . . 2.1 111.425 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.78 -35.31 80.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 119.85 -0.74 . . . . 2.65 109.816 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 40' ' ' ILE . 33.0 mt -65.99 -39.01 89.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.91 -0.586 . . . . 2.28 109.801 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 mm -61.86 -44.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.452 -0.944 . . . . 1.9 108.452 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.2 mt -56.26 -42.16 76.95 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.379 -0.6 . . . . 2.31 109.379 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG23 HD11 ' E' ' 44' ' ' LEU . 28.7 mt -63.16 -43.04 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 108.92 -0.77 . . . . 2.39 108.92 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' B' ' 40' ' ' ILE . 61.6 m -58.87 -50.82 72.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.131 -0.692 . . . . 2.35 109.131 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 45' ' ' ILE . 72.4 mt -60.39 -43.21 96.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.968 0.413 . . . . 2.37 110.569 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.94 -41.63 92.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.658 -0.701 . . . . 2.2 109.43 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.609 ' CD1' HG23 ' B' ' 40' ' ' ILE . 31.1 mt -63.43 -39.52 94.71 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.271 -0.64 . . . . 2.21 109.271 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.3 mt -62.62 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.346 -0.983 . . . . 2.47 108.346 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.6 m -62.09 -37.32 84.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.468 -0.787 . . . . 2.39 109.982 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.3 -41.21 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.972 0.415 . . . . 2.19 109.966 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.98 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.856 -0.794 . . . . 2.38 108.856 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.55 -44.34 98.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.545 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.716 ' HB3' HD11 ' E' ' 51' ' ' LEU . 86.3 mmm -65.1 -42.15 94.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -74.6 -25.35 59.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.004 0.43 . . . . 0.0 110.069 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.817 -1.087 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.8 mtp85 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.557 0.218 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.05 -28.49 68.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.226 0.536 . . . . 0.0 110.728 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.47 -37.55 74.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.559 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.49 -49.94 69.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.213 0.53 . . . . 0.0 110.43 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.99 -33.94 76.86 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.32 -49.4 75.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.45 -40.69 89.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.43 81.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -44.6 92.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.226 0.536 . . . . 0.0 109.777 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.9 t80 -58.18 -46.43 85.78 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.45 -37.23 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.815 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' B' ' 40' ' ' ILE . 31.6 mt -64.02 -39.38 93.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.771 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 mm -62.14 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 92.2 mt -58.95 -41.72 88.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.609 HG23 ' CD1' ' A' ' 44' ' ' LEU . 29.2 mt -63.15 -42.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.182 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' C' ' 40' ' ' ILE . 61.5 m -60.14 -48.05 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.702 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' B' ' 45' ' ' ILE . 74.4 mt -62.51 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.496 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.08 -41.67 98.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG23 ' C' ' 40' ' ' ILE . 30.7 mt -63.11 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' B' ' 42' ' ' LEU . 25.8 mt -62.92 -42.85 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 95.6 m -62.77 -37.11 85.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.717 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.01 -43.08 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.01 -42.43 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.152 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.1 -43.75 97.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.796 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' LEU . 85.9 mmm -66.1 -41.68 90.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -74.95 -24.58 58.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.137 179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.603 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.414 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.5 0.19 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -66.01 -27.6 68.24 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -71.06 -37.91 72.49 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.517 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' C' ' 28' ' ' LEU . 8.1 mt -64.08 -49.82 70.78 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.07 -33.94 76.9 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -62.33 -49.34 76.01 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.537 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.43 -40.65 89.62 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.902 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.66 -48.49 80.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.119 0.485 . . . . 0.0 110.7 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.92 -44.51 92.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.12 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.224 0.535 . . . . 0.0 109.805 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.9 t80 -58.51 -46.1 87.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.53 -37.33 87.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.832 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.9 mt -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.85 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.01 -41.52 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 93.6 mt -59.09 -41.78 88.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' ILE . . . . . 0.59 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.4 mt -63.05 -42.51 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 41' ' ' CYS . . . . . 0.541 ' SG ' HG13 ' D' ' 40' ' ' ILE . 62.3 m -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.764 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' C' ' 45' ' ' ILE . 72.4 mt -62.99 -41.61 99.62 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -41.45 98.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.428 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' LEU . . . . . 0.585 ' CD1' HG23 ' D' ' 40' ' ' ILE . 31.9 mt -63.18 -39.31 94.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.46 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.5 mt -63.06 -42.66 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.07 -36.91 85.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.768 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.23 -43.18 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.89 -42.66 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.79 -43.6 97.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' MET . . . . . 0.728 ' HB3' HD11 ' B' ' 51' ' ' LEU . 85.9 mmm -66.05 -41.95 90.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.346 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 51' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -74.63 -24.95 58.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.215 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.43 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.576 0.227 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -65.82 -27.92 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.441 0.639 . . . . 0.0 110.72 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -70.88 -37.97 73.07 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' D' ' 28' ' ' LEU . 7.8 mt -63.99 -50.23 69.38 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.346 0.593 . . . . 0.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -61.79 -49.23 77.18 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.724 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.56 -40.62 89.11 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.964 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.47 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.146 0.498 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.02 -44.49 92.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.32 -43.26 99.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.396 0.617 . . . . 0.0 109.725 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.8 t80 -58.39 -46.16 86.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.2 m -64.67 -37.03 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.731 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' LEU . . . . . 0.575 ' HA ' HD12 ' D' ' 40' ' ' ILE . 34.2 mt -64.37 -39.26 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.858 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.14 -41.34 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 93.6 mt -59.03 -41.81 88.71 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 40' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' C' ' 44' ' ' LEU . 28.1 mt -63.11 -42.68 97.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 41' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' E' ' 40' ' ' ILE . 61.9 m -60.64 -47.39 86.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 42' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' D' ' 45' ' ' ILE . 72.0 mt -62.76 -41.92 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.424 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.03 -41.55 98.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.429 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' LEU . . . . . 0.595 HD11 HG23 ' E' ' 40' ' ' ILE . 31.2 mt -63.02 -39.35 94.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.45 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 45' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' D' ' 42' ' ' LEU . 26.3 mt -62.98 -42.68 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.96 -36.96 85.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.26 -43.04 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.92 -42.51 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.232 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.21 -43.91 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.755 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 50' ' ' MET . . . . . 0.721 ' HB3' HD11 ' C' ' 51' ' ' LEU . 86.7 mmm -65.6 -42.0 92.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 51' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -74.59 -25.24 59.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.048 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.426 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.498 0.19 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.8 -28.57 69.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 0.0 110.454 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -70.33 -37.67 74.74 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.39 -49.53 71.21 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.313 0.577 . . . . 0.0 110.635 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.49 -33.78 76.67 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.83 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.31 -49.12 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.534 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.71 -40.64 88.53 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.778 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.54 -48.26 81.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.19 -44.33 91.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.31 -43.13 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.329 0.585 . . . . 0.0 109.673 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 35' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.8 t80 -58.63 -46.3 87.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.62 -37.07 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 37' ' ' LEU . . . . . 0.57 ' HA ' HD12 ' E' ' 40' ' ' ILE . 33.7 mt -64.16 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.21 -41.51 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 39' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 92.6 mt -58.91 -41.62 87.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 40' ' ' ILE . . . . . 0.595 HG23 HD11 ' D' ' 44' ' ' LEU . 29.3 mt -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 41' ' ' CYS . . . . . 0.537 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.1 m -61.0 -47.4 86.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.762 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' E' ' 45' ' ' ILE . 72.4 mt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.83 -41.66 98.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 44' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 40' ' ' ILE . 31.5 mt -63.18 -39.34 94.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 45' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.5 mt -62.72 -42.85 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.81 -37.24 85.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.93 -43.01 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.0 -42.38 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.16 -43.53 97.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 50' ' ' MET . . . . . 0.694 ' HB3' HD11 ' D' ' 51' ' ' LEU . 86.7 mmm -66.04 -41.86 90.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 51' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -74.86 -24.9 58.65 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.027 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.415 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.91 6.55 10.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.84 -50.45 73.73 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.04 -32.02 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.131 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -36.75 85.24 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.618 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -63.9 -43.18 96.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 7' ' ' LEU . 6.9 mp -63.35 -40.67 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -61.01 -42.21 98.03 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.651 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.4 mtt180 -64.66 -38.85 92.39 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.693 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.34 -35.45 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 109.94 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.07 83.78 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 9' ' ' ARG . 25.1 mt -64.07 -42.36 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.498 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.94 -41.44 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.515 0.509 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.69 -35.75 81.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.005 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.66 -5.15 52.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.4 p -96.33 -33.4 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 111.399 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 18' ' ' ILE . 8.7 t -66.81 -40.49 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 HG22 ' CE2' ' A' ' 32' ' ' PHE . 47.9 pt -63.37 -16.07 17.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -127.08 24.81 6.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.624 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.494 ' CE ' HD11 ' A' ' 28' ' ' LEU . 6.0 ptp -55.51 152.78 16.45 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.571 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -51.51 -40.09 63.78 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.36 2.04 . . . . 0.0 112.109 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.95 152.12 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.825 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -73.34 5.11 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.708 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.92 -9.52 21.85 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -52.5 -39.63 61.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -60.64 -32.81 71.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.792 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -66.47 -47.05 74.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.249 0.547 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD11 ' CE ' ' A' ' 20' ' ' MET . 18.4 mt -66.04 -44.19 85.35 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.56 -0.904 . . . . 2.25 108.56 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.48 -42.2 74.03 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 113.564 -1.653 . . . . 1.9 107.57 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.59 -41.2 98.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.35 -1.296 . . . . 2.57 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.62 -46.27 76.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.466 -0.494 . . . . 2.39 112.177 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CE2' HG22 ' A' ' 18' ' ' ILE . 21.6 m-85 -59.1 -40.08 84.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 120.332 -0.547 . . . . 2.41 110.82 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.86 -43.97 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.762 -0.654 . . . . 2.39 109.686 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.04 -44.32 96.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.155 -0.475 . . . . 2.16 110.084 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.99 -43.64 98.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.66 0.267 . . . . 2.22 111.094 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 75.3 m -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.169 -0.612 . . . . 2.6 109.569 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 40' ' ' ILE . 57.4 mt -67.42 -38.92 85.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 2.29 109.635 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.36 -45.75 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.076 -1.083 . . . . 1.97 108.076 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.3 mt -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 2.32 109.215 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' E' ' 44' ' ' LEU . 32.1 mt -63.7 -42.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.973 -0.751 . . . . 2.34 108.973 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' HG13 ' B' ' 40' ' ' ILE . 74.2 m -58.32 -47.58 83.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.84 -0.8 . . . . 2.32 108.84 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.21 -43.31 99.08 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.027 -0.36 . . . . 2.31 110.027 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' E' ' 44' ' ' LEU . 18.9 mt -59.1 -42.03 89.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.059 -0.518 . . . . 2.23 109.726 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD1' HG23 ' B' ' 40' ' ' ILE . 55.6 mt -64.63 -39.31 93.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.222 -0.659 . . . . 2.27 109.222 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.96 -44.53 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 108.374 -0.972 . . . . 2.48 108.374 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -63.16 -35.03 78.94 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.12 -0.945 . . . . 2.41 110.459 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.86 -40.17 83.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.031 0.443 . . . . 2.2 110.763 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.72 -42.07 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 115.381 -0.827 . . . . 2.4 109.558 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.28 -47.93 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.647 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.41 -46.4 88.77 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.518 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.37 -37.95 74.67 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.879 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.543 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -79.91 6.79 10.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.804 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.71 -47.12 87.7 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.739 0.781 . . . . 0.0 109.31 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -36.78 85.26 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.791 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -63.79 -43.07 97.44 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.47 -40.55 97.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -61.21 -41.72 97.33 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.4 mtt180 -65.09 -39.03 92.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.468 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.3 -35.64 76.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.91 85.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.687 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.6 mt -64.26 -42.55 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.404 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.46 -42.17 86.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.36 -35.7 81.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.171 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 -5.45 52.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 55.0 p -96.08 -33.38 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.32 . . . . 0.0 111.301 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.401 HG23 ' N ' ' B' ' 18' ' ' ILE . 8.8 t -66.72 -40.31 88.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.254 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' B' ' 32' ' ' PHE . 47.4 pt -63.54 -15.94 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -127.07 24.92 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.731 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.493 ' CE ' HD11 ' B' ' 28' ' ' LEU . 6.0 ptp -55.53 152.76 16.67 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -51.44 -40.3 62.83 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.415 2.076 . . . . 0.0 112.075 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.87 152.22 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -73.27 4.74 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.701 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -7.55 14.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -54.31 -39.44 67.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -60.29 -33.14 71.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -66.49 -46.0 77.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.438 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' B' ' 20' ' ' MET . 19.1 mt -66.99 -44.11 81.25 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.38 -39.35 72.81 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.135 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -65.41 -43.64 89.96 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.48 -44.26 91.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' B' ' 18' ' ' ILE . 22.5 m-85 -60.46 -43.61 96.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.64 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.78 -44.03 96.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.244 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.46 -43.84 97.86 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.85 -43.82 98.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 79.8 m -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.441 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' B' ' 40' ' ' ILE . 59.1 mt -65.5 -38.63 90.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.8 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.24 -42.18 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.32 91.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.549 HG23 ' CD1' ' A' ' 44' ' ' LEU . 31.4 mt -63.79 -42.53 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' C' ' 40' ' ' ILE . 73.0 m -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.71 -41.59 99.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.909 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -61.49 -42.13 98.32 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.536 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' C' ' 40' ' ' ILE . 52.3 mt -64.33 -39.02 93.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.14 -44.06 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -63.66 -35.02 79.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.178 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.09 -43.17 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.77 -42.71 96.83 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.739 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.39 -45.82 81.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.46 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 40.5 mmm -63.6 -47.04 83.07 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.29 -38.09 74.93 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.025 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.571 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.476 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.86 6.86 9.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.69 -47.15 87.57 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.685 0.755 . . . . 0.0 109.347 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.87 -32.6 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -37.07 86.25 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.696 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.79 -43.0 97.62 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.401 ' N ' HD12 ' C' ' 7' ' ' LEU . 7.0 mp -63.41 -40.76 98.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.603 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -60.96 -41.79 97.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.4 mtt180 -65.18 -39.12 92.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.434 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.294 0.569 . . . . 0.0 110.088 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.72 -41.04 84.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.703 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.8 mt -64.13 -42.29 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.485 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.97 -41.85 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.63 -35.62 81.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.041 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.26 -5.22 52.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 55.3 p -96.24 -33.54 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.349 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.413 HG23 ' N ' ' C' ' 18' ' ' ILE . 8.9 t -66.77 -40.27 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.248 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.472 HG22 ' CE2' ' C' ' 32' ' ' PHE . 46.9 pt -63.48 -16.07 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.05 24.79 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.493 ' CE ' HD11 ' C' ' 28' ' ' LEU . 6.0 ptp -55.49 152.74 16.48 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -51.55 -40.11 64.11 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.414 2.076 . . . . 0.0 112.112 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.87 152.22 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.39 5.16 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.64 16.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.11 -39.26 66.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -60.66 -33.05 72.25 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -66.63 -46.2 76.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.364 0.602 . . . . 0.0 110.263 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' C' ' 20' ' ' MET . 18.8 mt -66.55 -44.44 82.37 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.22 -39.62 72.79 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 113.696 -1.593 . . . . 0.0 108.074 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -65.0 -43.73 91.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.52 -44.21 91.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.472 ' CE2' HG22 ' C' ' 18' ' ' ILE . 22.6 m-85 -60.51 -43.55 96.97 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.573 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.99 -44.1 96.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.166 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.3 -43.98 97.58 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.532 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 77.2 m -63.91 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' C' ' 40' ' ' ILE . 59.0 mt -65.74 -38.6 89.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.871 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.44 -42.24 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.24 -40.41 90.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' B' ' 44' ' ' LEU . 32.1 mt -63.88 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' D' ' 40' ' ' ILE . 73.5 m -59.57 -45.17 92.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.51 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.82 -41.47 99.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.965 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' B' ' 44' ' ' LEU . 17.8 mt -61.71 -42.11 98.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.634 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 40' ' ' ILE . 54.5 mt -64.21 -39.22 93.52 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.241 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.23 -43.87 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.66 -35.09 79.39 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.377 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.07 -43.06 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.029 0.442 . . . . 0.0 110.237 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.72 -42.88 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.65 0.738 . . . . 0.0 109.707 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.8 t -68.13 -45.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.495 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.9 mmm -63.84 -46.7 83.83 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.039 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.63 -38.01 73.84 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.036 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.493 -179.764 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.63 6.61 10.2 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.57 -47.01 88.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.671 0.748 . . . . 0.0 109.419 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -64.02 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.77 -36.75 85.32 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.669 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.92 -43.05 97.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.43 -40.73 97.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -61.04 -41.89 97.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.4 mtt180 -65.01 -39.09 92.91 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.4 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.13 -35.66 75.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.513 . . . . 0.0 109.985 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.84 84.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.716 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' D' ' 9' ' ' ARG . 25.2 mt -64.23 -42.43 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.567 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.68 -42.16 87.85 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.56 -35.49 80.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.086 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.41 -5.22 52.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.69 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 p -96.35 -33.24 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.407 . . . . 0.0 111.38 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -67.07 -40.2 86.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.228 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' D' ' 32' ' ' PHE . 46.8 pt -63.55 -16.02 17.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -126.9 24.78 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.486 ' CE ' HD11 ' D' ' 28' ' ' LEU . 6.0 ptp -55.42 152.77 15.93 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -51.5 -40.01 63.84 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.409 2.073 . . . . 0.0 112.083 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.18 152.27 41.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.818 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -73.35 4.91 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.84 15.56 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -54.15 -39.31 66.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -60.41 -33.2 72.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -66.51 -45.94 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.293 0.568 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.486 HD11 ' CE ' ' D' ' 20' ' ' MET . 19.4 mt -66.8 -44.31 81.57 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.22 -39.65 72.83 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 113.549 -1.659 . . . . 0.0 108.096 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -65.09 -43.76 91.03 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.41 -44.38 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' D' ' 18' ' ' ILE . 22.4 m-85 -60.26 -43.6 96.0 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.996 -0.681 . . . . 0.0 109.685 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.95 -44.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.293 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.44 -43.84 97.84 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.204 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.99 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 77.3 m -64.06 -40.68 96.79 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.541 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' D' ' 40' ' ' ILE . 59.3 mt -65.85 -38.94 90.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.817 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.94 -42.31 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.33 -40.35 90.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 44' ' ' LEU . 33.2 mt -63.7 -42.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.509 ' SG ' HG13 ' E' ' 40' ' ' ILE . 72.9 m -59.64 -45.23 92.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.537 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.07 -41.52 99.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.923 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' C' ' 44' ' ' LEU . 17.9 mt -61.31 -42.39 98.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.602 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.556 ' CD1' HG23 ' E' ' 40' ' ' ILE . 54.3 mt -63.93 -39.32 93.89 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.256 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.11 -43.9 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.9 m -63.75 -34.95 79.04 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.27 -43.14 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.63 -42.83 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-O 121.541 0.686 . . . . 0.0 109.661 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.25 -45.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.565 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 40.9 mmm -63.8 -46.89 83.13 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.45 -38.08 74.43 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.002 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.219 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.579 -179.656 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.7 6.55 10.47 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.42 -47.42 86.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.799 0.809 . . . . 0.0 109.47 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.78 -32.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.787 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -36.97 86.08 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.711 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.72 -43.05 97.69 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.4 -40.74 98.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.555 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.655 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.5 mtt180 -64.82 -39.07 92.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.42 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.22 -35.67 75.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 109.95 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' E' ' 9' ' ' ARG . 25.5 mt -64.09 -42.34 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.601 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.85 -42.01 88.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.59 -35.34 80.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.125 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.68 -5.06 52.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.681 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 55.5 p -96.43 -33.31 11.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -66.82 -40.23 87.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.267 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.457 HG22 ' CE2' ' E' ' 32' ' ' PHE . 47.5 pt -63.64 -16.18 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -126.92 24.93 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.953 0.783 . . . . 0.0 110.644 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.497 ' CE ' HD11 ' E' ' 28' ' ' LEU . 6.0 ptp -55.52 152.71 16.81 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -51.56 -39.97 64.44 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.273 1.982 . . . . 0.0 112.105 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.96 151.99 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -73.19 4.88 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -7.69 14.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -54.18 -39.52 66.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -60.3 -33.23 72.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -66.39 -46.11 77.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.578 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.497 HD11 ' CE ' ' E' ' 20' ' ' MET . 19.4 mt -66.72 -44.26 82.06 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -56.28 -39.38 72.58 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.116 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.549 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.56 -44.17 91.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.457 ' CE2' HG22 ' E' ' 18' ' ' ILE . 22.4 m-85 -60.51 -43.37 97.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.656 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.22 -43.93 95.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.42 -43.96 97.57 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.185 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -61.82 -43.59 98.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.754 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 82.4 m -64.2 -40.77 96.78 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.406 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.5 mt -65.72 -38.87 90.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.755 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.79 -42.31 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.31 -40.55 90.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' D' ' 44' ' ' LEU . 32.7 mt -63.85 -42.31 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' A' ' 40' ' ' ILE . 73.0 m -59.61 -45.41 92.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.71 -41.51 99.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.072 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 17.6 mt -61.61 -42.12 98.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.53 ' CD1' HG23 ' A' ' 40' ' ' ILE . 54.9 mt -64.22 -39.17 93.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.13 -44.18 99.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.41 -35.11 79.33 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.368 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.28 -43.02 88.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 0.0 110.164 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.63 -42.91 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 CA-C-O 121.699 0.761 . . . . 0.0 109.739 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.23 -46.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.519 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 41.3 mmm -63.68 -46.83 83.74 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.898 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.19 -38.34 75.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.977 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.596 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.56 -179.679 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.18 -30.93 68.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 99.1 mttt -63.22 -53.45 52.98 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.379 0.609 . . . . 0.0 110.479 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.87 -27.79 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.601 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -36.39 84.17 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.378 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 19.7 m-85 -64.33 -42.28 96.37 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -62.59 -41.22 98.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -61.65 -42.43 98.89 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.2 mtt180 -63.4 -40.05 96.18 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -60.48 -35.97 77.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.801 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.48 87.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.4 mt -63.43 -42.09 95.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.408 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.16 -41.61 88.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.594 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.1 -35.2 77.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.83 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.21 -4.63 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.87 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.1 p -91.56 -32.48 15.51 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.665 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -42.4 87.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.522 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.462 HG22 ' CE2' ' A' ' 32' ' ' PHE . 50.9 pt -61.98 -17.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.752 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -127.95 24.67 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.602 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 7.6 ptt? -56.68 151.4 31.28 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.782 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.6 -35.34 46.33 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.729 2.286 . . . . 0.0 112.824 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.58 147.41 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.027 0.441 . . . . 0.0 111.204 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -73.96 -1.62 20.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.92 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.602 ' HB3' ' CE ' ' A' ' 20' ' ' MET . . . -70.25 -0.9 8.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.41 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -53.75 -37.21 63.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -61.85 -32.38 72.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.252 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.464 HD22 ' HB1' ' A' ' 24' ' ' ALA . 45.7 m-20 -67.8 -45.37 74.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.253 0.549 . . . . 0.0 109.612 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 17.0 mt -66.0 -44.54 84.5 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 108.706 -0.85 . . . . 2.24 108.706 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.28 -41.41 75.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.572 -1.649 . . . . 1.91 107.649 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.77 -40.61 97.12 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.188 -1.369 . . . . 2.57 111.245 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.38 -46.8 72.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.353 -0.539 . . . . 2.41 111.665 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CE2' HG22 ' A' ' 18' ' ' ILE . 24.6 m-85 -58.92 -41.27 86.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.472 -0.491 . . . . 2.42 110.725 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.12 -43.41 85.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.888 -0.596 . . . . 2.4 109.836 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.91 -44.65 96.35 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.497 -0.481 . . . . 2.16 110.352 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.025 -0.27 . . . . 2.21 110.953 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.7 m -63.6 -38.95 93.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.208 -0.597 . . . . 2.61 109.605 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 40.9 mt -68.2 -38.86 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.537 -0.756 . . . . 2.3 109.435 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.03 -45.97 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.347 -0.983 . . . . 1.98 108.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.4 -41.16 75.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.794 -0.639 . . . . 2.29 109.39 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.531 HG23 ' CD1' ' E' ' 44' ' ' LEU . 27.9 mt -62.54 -42.85 97.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.305 -0.628 . . . . 2.31 109.305 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.0 m -57.64 -46.5 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.694 -0.854 . . . . 2.31 108.694 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.98 -44.19 97.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.817 -0.438 . . . . 2.32 109.817 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' E' ' 44' ' ' LEU . 55.1 mt -59.56 -42.48 92.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 2.25 109.665 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 40' ' ' ILE . 42.2 mt -63.75 -40.31 96.41 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.241 -0.651 . . . . 2.3 109.241 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.76 -43.71 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.383 -0.969 . . . . 2.48 108.383 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.87 -35.31 79.59 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.81 -38.7 82.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.055 0.455 . . . . 2.21 110.718 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.57 -41.78 86.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.895 0.855 . . . . 2.38 109.359 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.42 -47.27 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.574 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.7 mmm -62.55 -47.13 85.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.63 -38.65 80.68 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.652 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.387 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.99 -30.93 67.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.43 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 99.1 mttt -63.88 -50.79 67.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.401 0.62 . . . . 0.0 111.179 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.14 -27.48 42.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.419 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -36.14 82.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 19.8 m-85 -64.66 -42.32 95.49 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.7 mp -62.4 -40.82 97.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.434 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.08 -42.43 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.2 mtt180 -63.3 -40.33 97.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.331 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.57 -35.68 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.6 87.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.5 mt -63.24 -42.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.254 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -59.05 -42.11 89.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.71 -35.08 77.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.916 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.1 -4.66 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.8 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.2 p -91.76 -32.18 15.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.655 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.413 HG22 ' H ' ' B' ' 17' ' ' THR . 0.0 OUTLIER -66.83 -42.39 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.321 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.474 HG22 ' CE2' ' B' ' 32' ' ' PHE . 50.9 pt -61.96 -16.76 16.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -128.33 24.32 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.583 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 7.6 ptt? -56.49 151.29 30.09 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.769 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -50.44 -35.55 45.54 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.813 2.342 . . . . 0.0 112.939 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -58.44 147.11 32.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.237 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -73.67 -1.89 20.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.062 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.583 ' HB3' ' CE ' ' B' ' 20' ' ' MET . . . -70.95 1.48 5.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.383 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -55.98 -37.17 68.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.147 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.445 HD22 ' HB1' ' B' ' 24' ' ' ALA . 40.5 m-20 -66.78 -44.4 81.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.436 0.636 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.435 HD11 ' SD ' ' B' ' 20' ' ' MET . 18.0 mt -65.75 -45.14 83.69 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.34 -38.7 74.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.396 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -65.22 -43.78 90.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.58 -44.81 89.49 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.395 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CE2' HG22 ' B' ' 18' ' ' ILE . 25.5 m-85 -60.45 -44.18 96.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.75 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.73 -43.42 93.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.357 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.34 -44.55 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.23 -42.73 99.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -63.64 -41.56 98.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 40' ' ' ILE . 41.7 mt -65.68 -38.51 89.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.999 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.49 -41.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.27 -40.18 89.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 44' ' ' LEU . 27.9 mt -63.01 -42.71 97.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.49 ' SG ' HG13 ' C' ' 40' ' ' ILE . 64.3 m -58.91 -43.49 91.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.988 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.21 -42.32 99.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.698 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' C' ' 40' ' ' ILE . 44.7 mt -63.48 -40.64 97.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.48 -44.05 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.14 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.95 -42.6 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-O 120.961 0.41 . . . . 0.0 110.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.9 -42.85 97.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 109.498 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.42 -46.27 83.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.297 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.016 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.55 -39.27 81.13 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.114 0.483 . . . . 0.0 109.727 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.595 -179.582 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.68 -31.11 67.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.415 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 99.0 mttt -63.71 -50.9 67.34 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.505 0.669 . . . . 0.0 110.915 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.25 -27.51 42.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 0.0 OUTLIER -65.58 -36.09 82.73 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 19.6 m-85 -64.73 -42.5 95.16 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.418 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.8 mp -62.04 -41.34 98.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.473 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.62 -42.5 98.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.1 mtt180 -63.2 -40.05 96.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.359 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.82 -35.27 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.922 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.39 84.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.812 0.815 . . . . 0.0 108.81 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.6 mt -63.42 -42.08 94.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.16 -41.83 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.553 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.08 -35.14 77.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.841 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.87 -4.36 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.788 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -91.85 -32.63 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.569 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -42.37 88.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.527 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.461 HG22 ' CE2' ' C' ' 32' ' ' PHE . 50.9 pt -62.21 -16.64 16.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -128.21 24.63 5.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.6 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 7.2 ptt? -56.93 151.32 33.95 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -50.35 -35.74 45.37 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.798 2.332 . . . . 0.0 112.821 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -58.3 147.15 31.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.55 -2.44 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.079 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.6 ' HB3' ' CE ' ' C' ' 20' ' ' MET . . . -70.4 1.69 4.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.369 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -56.54 -36.91 69.78 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.83 -34.46 74.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.994 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.421 HD22 ' HB1' ' C' ' 24' ' ' ALA . 41.5 m-20 -66.71 -44.42 81.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.211 0.529 . . . . 0.0 110.356 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.456 HD11 ' SD ' ' C' ' 20' ' ' MET . 17.6 mt -65.85 -44.98 83.87 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.22 -38.61 74.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.404 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -65.26 -44.02 89.44 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.58 -44.58 90.24 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.411 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.461 ' CE2' HG22 ' C' ' 18' ' ' ILE . 25.5 m-85 -60.19 -44.48 95.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.761 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.71 -43.54 93.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.27 -44.48 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.32 -42.64 99.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.75 -41.41 98.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' C' ' 40' ' ' ILE . 43.4 mt -65.62 -39.04 91.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.899 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.81 -42.35 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.79 -40.56 88.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.5 mt -62.63 -43.01 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.502 ' SG ' HG13 ' D' ' 40' ' ' ILE . 64.2 m -58.69 -43.51 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.01 -42.25 99.77 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.07 -42.38 99.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' D' ' 40' ' ' ILE . 43.6 mt -63.37 -40.83 98.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.25 -43.71 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.94 -35.5 80.34 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.77 -42.53 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.003 0.43 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.0 -42.61 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.646 0.736 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.74 -46.08 83.25 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.8 mmm -63.36 -47.42 82.2 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.79 -38.71 80.16 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.139 0.495 . . . . 0.0 109.746 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.748 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.552 -179.638 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.65 -30.9 67.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 99.1 mttt -63.81 -50.97 66.84 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.424 0.63 . . . . 0.0 110.922 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.2 -27.45 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.482 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -36.14 82.97 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 19.9 m-85 -64.45 -42.48 95.93 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.423 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.7 mp -62.35 -41.26 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.403 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.73 -42.28 98.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.655 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.2 mtt180 -63.48 -40.12 96.25 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.222 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -60.57 -35.62 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.898 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.31 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.771 0.796 . . . . 0.0 108.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.6 mt -63.56 -42.11 95.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.246 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -58.94 -42.27 89.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.8 -35.05 77.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.909 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.94 -4.63 56.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 25.4 p -91.87 -32.38 15.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.579 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.439 HG22 ' H ' ' D' ' 17' ' ' THR . 0.0 OUTLIER -66.59 -42.25 87.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.536 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.467 HG22 ' CE2' ' D' ' 32' ' ' PHE . 50.0 pt -62.2 -16.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.75 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.43 24.35 5.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.583 ' CE ' ' HB3' ' D' ' 24' ' ' ALA . 7.6 ptt? -56.47 151.15 30.62 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -50.37 -35.73 45.5 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.705 2.27 . . . . 0.0 112.865 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -58.17 147.62 29.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 111.195 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.96 -2.41 23.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.053 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.583 ' HB3' ' CE ' ' D' ' 20' ' ' MET . . . -70.62 2.18 4.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -56.84 -36.99 70.63 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.71 -34.47 74.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.084 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.439 HD22 ' HB1' ' D' ' 24' ' ' ALA . 42.0 m-20 -66.74 -44.4 81.62 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.36 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.433 HD11 ' SD ' ' D' ' 20' ' ' MET . 17.5 mt -65.91 -44.8 84.14 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.48 -38.44 74.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.633 -1.622 . . . . 0.0 108.431 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.52 -43.93 88.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.389 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.32 -44.66 90.86 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' D' ' 18' ' ' ILE . 25.4 m-85 -60.13 -44.71 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.668 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.35 -43.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' D' ' 34' ' ' ASN . 7.3 m120 -62.55 -44.33 96.6 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.279 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.41 -42.7 99.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.88 -41.31 97.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' D' ' 40' ' ' ILE . 43.3 mt -65.75 -38.82 90.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.81 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.96 -42.36 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.81 -40.5 88.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' C' ' 44' ' ' LEU . 29.0 mt -62.69 -42.91 97.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.505 ' SG ' HG13 ' E' ' 40' ' ' ILE . 64.7 m -58.87 -43.53 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.9 -42.22 99.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.02 -42.34 99.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.718 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' E' ' 40' ' ' ILE . 43.9 mt -63.51 -40.87 98.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.16 -43.82 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.7 m -63.03 -35.33 79.89 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.64 -42.6 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 121.072 0.463 . . . . 0.0 110.234 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.89 -42.82 97.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 109.506 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.69 -46.02 83.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.352 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.48 -47.31 82.32 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.003 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.96 -38.53 79.46 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.439 -179.644 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.607 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 99.1 mttt -63.8 -50.81 67.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.334 0.588 . . . . 0.0 111.031 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.21 -27.34 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -36.25 83.11 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 19.8 m-85 -64.47 -42.43 95.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -62.47 -40.75 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.562 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.12 -42.16 98.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.2 mtt180 -63.54 -40.29 96.63 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.176 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -60.4 -35.72 76.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.817 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.31 87.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.705 0.764 . . . . 0.0 108.998 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.3 mt -63.7 -42.09 94.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.245 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.09 -42.15 89.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.66 -35.01 76.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.25 -4.66 55.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.74 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 25.9 p -91.62 -32.51 15.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.587 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.6 87.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.361 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' E' ' 32' ' ' PHE . 51.0 pt -61.74 -17.1 16.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -127.69 24.04 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.59 ' CE ' ' HB3' ' E' ' 24' ' ' ALA . 7.4 ptt? -56.16 151.07 28.03 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -50.28 -35.6 44.27 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.655 2.237 . . . . 0.0 112.812 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.18 147.51 30.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.001 0.429 . . . . 0.0 111.179 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.99 -2.14 22.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.163 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.59 ' HB3' ' CE ' ' E' ' 20' ' ' MET . . . -70.89 1.68 5.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -56.14 -37.29 69.28 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.49 -34.58 74.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.113 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.433 HD22 ' HB1' ' E' ' 24' ' ' ALA . 42.4 m-20 -66.64 -44.39 82.07 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.336 0.589 . . . . 0.0 110.362 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.449 HD11 ' SD ' ' E' ' 20' ' ' MET . 17.9 mt -65.75 -45.28 83.19 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -56.79 -38.99 73.3 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.49 -1.686 . . . . 0.0 108.401 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -65.01 -44.02 90.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.488 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.46 -44.78 90.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' E' ' 18' ' ' ILE . 25.5 m-85 -60.12 -44.45 94.88 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.69 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.1 -44.58 96.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.43 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.31 -42.72 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 42.7 mt -65.48 -38.59 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.046 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.27 -41.94 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 mt -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.1 mt -62.96 -42.57 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.639 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.501 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.9 m -58.88 -43.61 90.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.04 -42.07 99.67 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' D' ' 44' ' ' LEU . 53.4 mt -62.18 -42.3 99.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.531 ' CD1' HG23 ' A' ' 40' ' ' ILE . 44.7 mt -63.38 -40.63 97.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.588 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.64 -43.88 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 86.5 m -62.78 -35.32 79.47 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.016 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.74 -42.62 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.194 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.93 -42.63 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-O 121.504 0.668 . . . . 0.0 109.674 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.03 83.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.471 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.33 -47.43 82.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.894 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.84 -39.21 80.08 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.65 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.678 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mtp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.56 -32.53 68.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -53.01 50.8 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.538 0.685 . . . . 0.0 110.102 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.93 -25.13 36.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.586 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -65.75 -37.34 86.08 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 18.3 m-85 -65.02 -43.96 90.71 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.504 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.5 mp -62.69 -41.46 99.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.24 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -61.05 -43.07 99.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.632 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.3 mtt180 -63.13 -40.56 97.95 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.804 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -59.36 -36.95 76.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.3 mt -63.87 -42.56 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.83 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -58.2 -42.24 85.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -64.91 -36.25 83.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.519 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.28 -2.2 58.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 t -91.58 -33.04 15.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.704 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -42.21 82.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' A' ' 32' ' ' PHE . 45.3 pt -60.44 -17.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.115 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.2 21.22 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.456 0.472 . . . . 0.0 110.475 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.57 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 13.0 ptt? -49.8 147.15 6.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.792 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -51.43 -30.76 35.94 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.983 2.456 . . . . 0.0 112.825 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.71 148.24 20.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.642 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -73.64 0.94 11.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB3' ' CE ' ' A' ' 20' ' ' MET . . . -79.48 8.71 5.82 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -52.93 -40.73 63.84 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.544 ' HB2' HE22 ' E' ' 26' ' ' GLN . 21.2 tt0 -64.13 -34.19 77.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.745 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -65.45 -43.07 91.52 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.524 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD11 ' SD ' ' A' ' 20' ' ' MET . 22.7 mt -66.4 -44.25 83.53 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.667 -0.864 . . . . 2.22 108.667 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -56.08 -41.23 74.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 113.697 -1.592 . . . . 1.91 107.964 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.249 -1.341 . . . . 2.55 111.033 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.26 -45.63 76.09 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.208 -0.597 . . . . 2.44 112.137 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' A' ' 18' ' ' ILE . 26.3 m-85 -60.05 -42.57 94.75 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.361 -0.536 . . . . 2.44 111.162 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.59 -43.18 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.067 -0.515 . . . . 2.43 109.977 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.29 -45.17 94.44 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.209 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.36 -42.25 99.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.665 -0.243 . . . . 2.18 110.681 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.99 -39.57 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.262 -0.575 . . . . 2.58 109.746 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 40' ' ' ILE . 34.9 mt -68.01 -38.26 82.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 2.33 109.805 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.2 -46.75 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.668 -0.864 . . . . 1.97 108.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.74 -40.54 75.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.835 -0.802 . . . . 2.31 108.835 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 37' ' ' LEU . 30.0 mt -62.4 -42.38 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.855 -0.794 . . . . 2.29 108.855 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.432 ' SG ' HG13 ' B' ' 40' ' ' ILE . 62.3 m -58.75 -46.63 86.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.769 -0.826 . . . . 2.31 108.769 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.39 -43.33 99.05 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 110.115 -0.328 . . . . 2.36 110.115 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.1 -42.18 94.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.263 -0.426 . . . . 2.23 109.999 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' B' ' 40' ' ' ILE . 40.8 mt -63.38 -38.96 93.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.249 -0.648 . . . . 2.27 109.249 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.23 -43.23 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.688 -0.856 . . . . 2.44 108.688 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.29 -35.2 79.59 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.234 -0.894 . . . . 2.38 110.036 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.9 mt -66.8 -40.86 86.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.237 0.541 . . . . 2.22 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.8 mt -67.51 -42.49 87.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.949 -1.023 . . . . 2.4 110.324 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.16 -48.93 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.754 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.466 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.0 mmm -62.36 -47.08 85.77 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.388 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 47' ' ' ILE . 8.9 mt -68.35 -38.8 81.81 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.1 mp . . . . . 0 N--CA 1.444 -0.728 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.55 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mtp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.62 -32.91 68.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.36 -49.96 67.38 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.92 -24.85 36.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 0.2 OUTLIER -65.88 -37.4 86.04 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.413 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 18.0 m-85 -64.95 -44.06 90.64 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.426 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.446 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.4 mp -62.68 -41.31 99.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 81.9 m -61.57 -42.02 98.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.611 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.2 mtt180 -64.02 -40.51 96.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.591 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.4 ' HA ' HH11 ' B' ' 13' ' ' ARG . 15.5 m -59.55 -37.11 77.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.257 0.551 . . . . 0.0 109.761 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.51 91.56 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.4 mt -64.23 -42.23 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.4 HH11 ' HA ' ' B' ' 10' ' ' SER . 83.7 mtt85 -58.39 -42.66 87.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.612 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -64.62 -35.78 82.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.279 0.562 . . . . 0.0 109.821 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.25 -2.27 58.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.203 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -91.7 -32.88 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.686 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -42.18 82.82 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' B' ' 32' ' ' PHE . 45.1 pt -60.72 -17.5 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.148 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.16 21.07 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.561 0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.581 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 13.3 ptt? -49.92 147.2 6.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -51.17 -30.72 33.46 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.938 2.425 . . . . 0.0 113.008 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.87 148.57 20.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.952 0.406 . . . . 0.0 110.638 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -73.96 0.69 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.044 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.581 ' HB3' ' CE ' ' B' ' 20' ' ' MET . . . -79.05 8.33 5.89 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -52.42 -41.04 62.88 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.526 HE22 ' HB2' ' C' ' 26' ' ' GLN . 20.6 tt0 -62.95 -38.28 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.097 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.03 -41.34 99.5 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.638 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.467 HD11 ' SD ' ' B' ' 20' ' ' MET . 24.7 mt -67.36 -44.29 79.38 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.2 -38.75 74.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.486 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.7 -45.18 87.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.352 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.19 -43.85 90.3 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' B' ' 18' ' ' ILE . 26.5 m-85 -60.96 -45.73 93.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.003 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.29 -43.52 95.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.16 -45.19 94.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.068 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.369 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 90.8 m -62.1 -42.45 99.23 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.606 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' B' ' 40' ' ' ILE . 34.3 mt -65.57 -38.2 88.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.137 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.93 -43.47 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.28 -40.23 85.43 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 37' ' ' LEU . 29.4 mt -62.54 -42.42 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' C' ' 40' ' ' ILE . 62.6 m -59.42 -43.82 93.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.59 -42.02 98.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 44' ' ' LEU . 50.7 mt -61.92 -41.8 98.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.945 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' C' ' 40' ' ' ILE . 39.6 mt -63.91 -39.31 93.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.05 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.96 -35.62 80.76 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 44' ' ' LEU . 13.0 mt -65.69 -44.12 93.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.02 0.438 . . . . 0.0 110.088 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' C' ' 47' ' ' ILE . 77.6 mt -64.24 -43.15 97.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.87 -46.62 78.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.496 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' A' ' 52' ' ' LEU . 82.4 mmm -64.09 -47.55 79.61 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.973 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.415 HD12 HG23 ' B' ' 47' ' ' ILE . 9.3 mt -68.32 -39.4 81.98 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.039 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.646 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.73 -32.6 67.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.7 -49.96 66.62 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.592 0.71 . . . . 0.0 110.476 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.89 -24.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.457 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 0.2 OUTLIER -65.95 -37.23 85.47 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.763 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.416 ' N ' ' HG2' ' C' ' 5' ' ' GLN . 18.2 m-85 -65.17 -43.78 90.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.447 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.4 mp -62.79 -41.14 99.14 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 76.4 m -61.68 -42.18 98.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.625 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.3 mtt180 -63.76 -40.84 97.68 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.506 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' SER . . . . . 0.402 ' HA ' HH11 ' C' ' 13' ' ' ARG . 15.6 m -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.161 0.505 . . . . 0.0 109.764 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.5 mt -64.47 -42.15 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.771 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.402 HH11 ' HA ' ' C' ' 10' ' ' SER . 83.8 mtt85 -58.33 -42.61 87.2 Favored 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.359 0.412 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -64.88 -36.11 83.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.191 0.52 . . . . 0.0 109.748 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.89 -2.31 58.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.266 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -91.39 -33.31 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.757 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.412 HG22 ' H ' ' C' ' 17' ' ' THR . 0.0 OUTLIER -67.4 -41.68 84.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.997 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.424 HG22 ' CE2' ' C' ' 32' ' ' PHE . 45.2 pt -61.29 -17.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.056 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.4 21.13 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.564 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 13.0 ptt? -49.87 147.26 6.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -51.17 -30.84 33.89 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.033 2.489 . . . . 0.0 112.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -56.95 148.61 20.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.382 . . . . 0.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.92 0.57 13.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.004 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.564 ' HB3' ' CE ' ' C' ' 20' ' ' MET . . . -79.05 8.29 5.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -52.23 -41.3 62.64 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.528 HE22 ' HB2' ' D' ' 26' ' ' GLN . 20.9 tt0 -62.9 -37.87 88.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.274 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.23 -41.48 99.11 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.555 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.469 HD11 ' SD ' ' C' ' 20' ' ' MET . 24.3 mt -67.39 -44.12 79.67 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -38.89 74.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.624 -1.626 . . . . 0.0 108.471 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -64.74 -44.96 88.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.445 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.22 -43.48 91.35 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' C' ' 18' ' ' ILE . 26.4 m-85 -61.24 -45.56 94.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.91 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.44 -43.51 94.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ASN . . . . . 0.415 HD21 ' HA ' ' C' ' 34' ' ' ASN . 7.4 m120 -62.34 -45.31 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 92.0 m -62.27 -42.17 99.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.552 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' C' ' 40' ' ' ILE . 32.9 mt -65.7 -38.16 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.04 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.04 -43.21 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.48 -40.22 86.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' C' ' 37' ' ' LEU . 29.5 mt -62.46 -42.63 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.0 m -59.24 -43.96 92.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.45 -42.19 98.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.98 -41.76 98.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' D' ' 40' ' ' ILE . 39.6 mt -63.64 -39.32 94.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.0 -43.38 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -62.94 -35.76 81.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' C' ' 44' ' ' LEU . 12.0 mt -65.59 -44.12 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.24 -43.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.82 -46.7 78.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.405 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.5 mmm -63.83 -47.37 81.07 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.121 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.43 HD12 HG23 ' C' ' 47' ' ' ILE . 9.3 mt -68.53 -39.02 81.34 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.014 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.434 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.56 -32.7 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.66 -49.96 66.7 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.464 0.65 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.96 -24.75 36.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 0.2 OUTLIER -65.92 -37.25 85.56 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 18.0 m-85 -65.2 -43.86 90.22 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.421 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.435 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.4 mp -62.53 -41.59 98.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 83.5 m -61.32 -42.01 97.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.2 mtt180 -64.07 -40.58 96.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.63 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' SER . . . . . 0.409 ' HA ' HH11 ' D' ' 13' ' ' ARG . 15.6 m -59.52 -36.97 77.12 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.228 0.537 . . . . 0.0 109.836 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.33 91.62 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.6 mt -64.5 -42.16 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.782 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.409 HH11 ' HA ' ' D' ' 10' ' ' SER . 83.8 mtt85 -58.3 -42.54 86.9 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.64 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -64.88 -36.3 83.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.87 -2.31 58.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.248 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -91.53 -33.04 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -41.8 82.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.422 HG22 ' CE2' ' D' ' 32' ' ' PHE . 45.1 pt -61.08 -17.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.156 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.39 21.21 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.523 0.514 . . . . 0.0 110.574 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.576 ' CE ' ' HB3' ' D' ' 24' ' ' ALA . 13.1 ptt? -49.89 147.19 6.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.28 -30.86 35.0 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 123.014 2.476 . . . . 0.0 112.856 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -56.82 148.32 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.479 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.77 0.86 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.96 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.576 ' HB3' ' CE ' ' D' ' 20' ' ' MET . . . -79.35 8.23 6.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -52.12 -41.24 62.32 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.528 ' HB2' HE22 ' C' ' 26' ' ' GLN . 20.9 tt0 -62.8 -38.05 89.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.212 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.07 -41.56 99.46 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.628 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.473 HD11 ' SD ' ' D' ' 20' ' ' MET . 24.3 mt -67.34 -44.18 79.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.18 -38.6 73.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.602 -1.635 . . . . 0.0 108.673 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -64.83 -45.05 87.77 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.49 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.25 -43.6 90.82 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.422 ' CE2' HG22 ' D' ' 18' ' ' ILE . 26.5 m-85 -61.21 -45.6 93.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.831 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.44 -43.44 94.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' D' ' 34' ' ' ASN . 7.4 m120 -62.26 -45.6 92.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.76 -42.83 99.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.484 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.22 -42.22 99.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.609 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.1 mt -65.78 -37.93 87.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.35 -43.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.51 -40.08 85.94 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' D' ' 37' ' ' LEU . 29.2 mt -62.77 -42.41 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.461 ' SG ' HG13 ' E' ' 40' ' ' ILE . 62.1 m -59.49 -43.56 93.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.735 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.63 -41.95 98.21 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.164 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.16 -41.79 98.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.956 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.578 ' CD1' HG23 ' E' ' 40' ' ' ILE . 40.8 mt -63.78 -39.34 94.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -62.99 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.13 -35.63 80.92 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.025 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' D' ' 44' ' ' LEU . 12.1 mt -65.6 -44.21 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.058 0.456 . . . . 0.0 110.189 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' E' ' 47' ' ' ILE . 76.4 mt -64.23 -43.22 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.71 -46.58 79.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.609 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.477 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.8 mmm -64.07 -47.56 79.65 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.967 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.418 HD12 HG23 ' D' ' 47' ' ' ILE . 9.3 mt -68.36 -38.8 81.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.128 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.72 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.423 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.37 -33.02 69.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.12 -50.13 67.25 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.585 0.707 . . . . 0.0 110.694 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.94 -24.66 36.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 0.2 OUTLIER -66.07 -37.25 85.32 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.413 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 18.0 m-85 -65.19 -44.01 89.82 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.442 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.4 mp -62.54 -41.35 98.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 83.7 m -61.51 -41.96 98.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.2 mtt180 -64.08 -40.57 96.53 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.618 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 10' ' ' SER . . . . . 0.402 ' HA ' HH11 ' E' ' 13' ' ' ARG . 15.5 m -59.61 -36.72 76.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.256 0.55 . . . . 0.0 109.826 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.26 90.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.852 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.8 mt -64.52 -42.14 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.734 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.402 HH11 ' HA ' ' E' ' 10' ' ' SER . 83.8 mtt85 -58.31 -42.44 86.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -64.96 -35.99 82.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.25 -2.31 58.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -91.49 -33.25 15.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.755 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.42 HG22 ' H ' ' E' ' 17' ' ' THR . 0.0 OUTLIER -67.52 -41.83 83.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.876 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.417 HG22 ' CE2' ' E' ' 32' ' ' PHE . 45.3 pt -60.95 -17.47 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.193 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.16 21.21 5.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.573 ' CE ' ' HB3' ' E' ' 24' ' ' ALA . 13.1 ptt? -49.92 147.3 6.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -51.28 -30.86 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.043 2.495 . . . . 0.0 112.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.89 148.44 20.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.76 0.73 12.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' CE ' ' E' ' 20' ' ' MET . . . -79.33 8.36 6.23 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -52.3 -41.02 62.56 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.544 HE22 ' HB2' ' A' ' 26' ' ' GLN . 20.7 tt0 -63.01 -38.25 90.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.343 -1.298 . . . . 0.0 111.31 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -62.94 -41.26 99.44 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.556 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.472 HD11 ' SD ' ' E' ' 20' ' ' MET . 24.5 mt -67.53 -44.46 78.33 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.12 -38.7 73.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.582 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -64.61 -45.39 87.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.451 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.93 -43.76 91.7 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' E' ' 18' ' ' ILE . 26.5 m-85 -60.96 -45.64 93.93 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.024 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.46 -43.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.31 -45.43 93.25 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.03 -42.86 99.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 92.4 m -62.14 -42.19 99.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.626 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.9 mt -65.68 -38.15 88.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.95 -43.41 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -40.38 86.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.6 mt -62.46 -42.52 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.3 m -59.35 -43.85 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.41 -42.04 98.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.09 -41.72 98.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.573 ' CD1' HG23 ' A' ' 40' ' ' ILE . 39.7 mt -63.84 -39.41 94.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.91 -43.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.83 -35.87 81.37 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.085 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' E' ' 44' ' ' LEU . 12.4 mt -65.61 -44.18 93.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.914 0.388 . . . . 0.0 110.125 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.1 -43.23 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.333 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.9 -46.65 78.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.464 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.464 ' HB3' HD13 ' D' ' 52' ' ' LEU . 82.6 mmm -64.01 -47.5 80.03 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.076 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.424 HD12 HG23 ' E' ' 47' ' ' ILE . 9.4 mt -68.33 -39.26 82.0 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.109 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.444 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.671 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.78 -42.81 9.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.179 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.18 -45.29 77.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.601 0.715 . . . . 0.0 109.588 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 8' ' ' THR . 11.2 p -61.67 -27.0 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.432 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.08 -36.58 84.07 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.14 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.41 -46.85 65.86 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.312 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -58.41 -42.41 87.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 4' ' ' VAL . 71.2 p -61.05 -48.73 80.38 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -57.38 -36.37 71.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.816 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 t -64.37 -32.69 74.41 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -66.0 -39.14 90.04 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.809 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.71 -43.75 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' O ' HD13 ' A' ' 28' ' ' LEU . 83.9 mmt-85 -63.34 -45.23 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.189 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -55.11 -51.19 67.2 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.37 68.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.828 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -146.41 -16.39 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.965 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -105.3 -13.04 15.8 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.717 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -77.98 -17.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.339 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.16 -10.36 42.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.273 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.405 ' N ' HH21 ' A' ' 25' ' ' ARG . 53.3 mtm -125.98 126.7 24.82 Favored Pre-proline 0 C--O 1.223 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.37 94.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.855 1.704 . . . . 0.0 111.22 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -141.6 154.75 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.43 -9.89 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.56 67.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.408 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.405 HH21 ' N ' ' A' ' 20' ' ' MET . 99.3 mtt180 -59.04 -34.7 72.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.97 -38.74 92.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -64.16 -43.44 95.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.229 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' OG1' ' A' ' 17' ' ' THR . 7.5 mt -61.49 -44.1 97.68 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.962 -0.755 . . . . 1.94 108.962 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' A' ' 33' ' ' ILE . 10.1 tt0 -61.19 -40.04 92.44 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.809 -1.542 . . . . 2.5 108.284 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -63.77 -44.46 93.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.045 -0.98 . . . . 2.32 110.471 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.36 -47.0 77.96 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.885 -0.726 . . . . 2.3 111.708 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 6.1 t80 -59.87 -52.44 65.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.39 -0.924 . . . . 2.6 109.978 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' HG2' ' A' ' 29' ' ' GLN . 88.0 mt -62.61 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.504 -0.479 . . . . 2.3 111.529 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -58.97 -52.23 66.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.094 -0.642 . . . . 2.3 109.904 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.8 -43.25 80.75 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.392 -0.367 . . . . 2.59 110.904 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HB3' HD22 ' E' ' 37' ' ' LEU . 98.9 m -67.01 -37.41 84.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.57 -0.452 . . . . 2.08 111.179 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' B' ' 36' ' ' CYS . 25.5 mt -60.76 -42.43 97.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.952 -0.758 . . . . 2.1 108.952 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.83 -43.96 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 109.247 -0.649 . . . . 2.45 109.247 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.01 -42.53 99.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.833 -0.347 . . . . 2.36 110.818 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.32 -42.55 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.887 -0.783 . . . . 2.28 108.887 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.33 -43.79 98.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.97 -0.752 . . . . 2.23 108.97 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 45' ' ' ILE . 62.6 mt -61.98 -41.92 98.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.73 -0.214 . . . . 2.18 110.493 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.41 -43.24 96.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.963 -0.754 . . . . 2.45 108.963 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 2.36 110.151 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 42' ' ' LEU . 24.6 mt -61.92 -43.59 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.202 -0.666 . . . . 2.22 109.202 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -39.3 86.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.351 -0.611 . . . . 2.27 109.351 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.39 -42.09 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.799 -0.637 . . . . 2.26 109.821 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.78 -44.26 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 N-CA-C 108.77 -0.826 . . . . 2.55 108.77 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.1 t -60.01 -44.81 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.237 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.539 ' SD ' HD13 ' E' ' 52' ' ' LEU . 73.6 mtm -63.98 -41.6 97.47 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.85 -41.86 95.35 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.826 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD13 ' SD ' ' B' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.694 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.44 -42.99 9.98 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.36 -44.76 78.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.8 0.81 . . . . 0.0 109.836 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.542 ' O ' HG23 ' B' ' 8' ' ' THR . 11.2 p -62.28 -26.54 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.394 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.31 -36.72 84.62 Favored 'General case' 0 N--CA 1.434 -1.239 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.206 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.04 -42.1 73.36 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.914 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.8 mp -62.43 -42.42 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 4' ' ' VAL . 74.4 p -63.28 -41.51 99.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.26 -36.66 84.4 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.029 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -64.19 -32.91 74.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.222 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.9 83.87 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.189 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.21 -43.9 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.746 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.487 ' O ' HD13 ' B' ' 28' ' ' LEU . 82.9 mmt-85 -65.42 -39.64 92.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -59.65 -46.84 87.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.86 69.79 0.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.901 -0.719 . . . . 0.0 112.761 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -147.5 -16.65 0.38 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.39 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.583 ' OG1' HD11 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -104.98 -13.12 15.88 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.01 -17.18 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.599 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -91.22 -10.92 39.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.42 ' N ' HH21 ' B' ' 25' ' ' ARG . 53.2 mtm -125.44 126.56 25.05 Favored Pre-proline 0 C--O 1.223 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -59.35 94.68 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 121.777 1.651 . . . . 0.0 111.395 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -141.72 154.88 45.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.144 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.54 -10.23 59.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -25.45 67.29 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.275 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.42 HH21 ' N ' ' B' ' 20' ' ' MET . 99.4 mtt180 -58.98 -34.68 72.11 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.877 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.11 -41.28 99.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -63.23 -40.18 96.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.189 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.583 HD11 ' OG1' ' B' ' 17' ' ' THR . 8.6 mt -63.54 -44.24 94.78 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' B' ' 33' ' ' ILE . 10.2 tt0 -61.79 -38.33 87.68 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.836 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -64.88 -45.6 85.31 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.986 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.09 -45.01 86.99 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.408 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 6.5 t80 -62.37 -49.92 73.64 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.364 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' B' ' 29' ' ' GLN . 86.0 mt -64.63 -44.14 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.841 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.87 -47.85 83.18 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.499 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.21 -42.93 99.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.227 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 99.3 m -66.37 -38.18 86.99 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.341 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' C' ' 36' ' ' CYS . 25.9 mt -60.16 -42.27 94.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' B' ' 38' ' ' ILE . 28.7 mm -64.1 -43.5 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.323 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.06 -42.54 99.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.47 -42.85 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.78 -42.85 99.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.355 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' B' ' 45' ' ' ILE . 64.4 mt -62.51 -41.21 98.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.4 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.41 -39.63 92.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.017 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 42' ' ' LEU . 23.8 mt -62.25 -42.86 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.07 -38.98 88.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.625 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.72 -41.8 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.24 -44.61 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.901 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.533 ' SD ' HD13 ' A' ' 52' ' ' LEU . 73.6 mtm -64.33 -41.36 96.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.367 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.01 -41.76 95.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.668 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.534 HD13 ' SD ' ' C' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.759 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 -43.22 10.17 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.09 -44.97 78.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.688 0.756 . . . . 0.0 109.85 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.542 ' O ' HG23 ' C' ' 8' ' ' THR . 11.3 p -62.3 -26.39 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.352 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.45 -36.57 84.2 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.33 -42.03 72.45 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.893 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.441 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.8 mp -62.5 -42.24 99.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 4' ' ' VAL . 72.8 p -63.36 -41.52 98.84 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.38 -36.71 84.63 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.428 -0.806 . . . . 0.0 108.941 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -64.07 -32.87 74.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.29 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.86 83.78 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.031 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.16 -43.76 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.835 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.476 ' O ' HD13 ' C' ' 28' ' ' LEU . 84.1 mmt-85 -65.75 -38.84 90.19 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.448 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -60.33 -47.13 87.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.7 70.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -147.83 -16.8 0.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.442 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.578 ' OG1' HD11 ' C' ' 28' ' ' LEU . 0.6 OUTLIER -104.95 -13.17 15.87 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.3 pt -77.88 -17.14 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.493 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.48 -10.42 40.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.414 ' N ' HH21 ' C' ' 25' ' ' ARG . 53.6 mtm -125.86 126.54 24.87 Favored Pre-proline 0 C--O 1.224 -0.261 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.215 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.24 94.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.789 1.659 . . . . 0.0 111.403 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -141.68 154.6 45.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.209 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.37 -10.27 59.49 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.3 67.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.272 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.414 HH21 ' N ' ' C' ' 20' ' ' MET . 99.4 mtt180 -59.21 -34.36 72.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.867 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -63.38 -41.41 98.78 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -63.13 -40.09 96.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.318 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.578 HD11 ' OG1' ' C' ' 17' ' ' THR . 8.8 mt -63.59 -44.24 94.58 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' C' ' 33' ' ' ILE . 10.2 tt0 -61.78 -38.42 87.97 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 113.535 -1.666 . . . . 0.0 108.836 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -64.72 -45.73 85.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.028 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 -44.9 88.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.266 -0.573 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.421 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 6.5 t80 -62.63 -49.76 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' C' ' 29' ' ' GLN . 86.2 mt -64.69 -44.15 96.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -61.81 -47.98 82.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.07 -42.94 99.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.549 ' HB3' HD22 ' B' ' 37' ' ' LEU . 99.1 m -66.38 -38.44 87.55 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' D' ' 36' ' ' CYS . 25.4 mt -59.97 -42.16 93.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.18 -43.45 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.17 -42.49 99.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.747 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.5 -42.85 97.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.77 -42.86 99.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.529 ' HA ' HD12 ' C' ' 45' ' ' ILE . 63.6 mt -62.5 -41.16 98.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.42 -43.42 98.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.25 -39.59 92.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.122 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.3 mt -62.4 -42.73 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.2 m -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -42.93 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.664 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.69 -41.83 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.407 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.34 -44.63 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.045 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.534 ' SD ' HD13 ' B' ' 52' ' ' LEU . 73.5 mtm -64.13 -41.68 97.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.73 -41.96 95.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.531 HD13 ' SD ' ' D' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.907 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.2 -42.71 10.28 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.46 -45.0 77.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.611 0.72 . . . . 0.0 109.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.54 ' O ' HG23 ' D' ' 8' ' ' THR . 11.5 p -62.16 -26.25 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.286 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.64 -36.59 84.34 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -70.07 -42.15 73.19 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.964 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.444 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.8 mp -62.41 -42.35 99.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' THR . . . . . 0.54 HG23 ' O ' ' D' ' 4' ' ' VAL . 73.0 p -63.28 -41.6 99.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.16 -36.75 84.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.919 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -64.07 -32.96 74.7 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.323 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.98 84.27 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.024 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.98 -43.93 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.881 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.475 ' O ' HD13 ' D' ' 28' ' ' LEU . 84.0 mmt-85 -65.57 -38.98 91.09 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.352 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -60.23 -47.28 86.65 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.54 70.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.845 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -147.7 -16.65 0.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.374 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.587 ' OG1' HD11 ' D' ' 28' ' ' LEU . 0.6 OUTLIER -105.0 -13.15 15.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -77.78 -17.34 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.469 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.31 -10.31 41.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.413 ' N ' HH21 ' D' ' 25' ' ' ARG . 53.8 mtm -126.0 126.48 24.81 Favored Pre-proline 0 C--O 1.223 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.218 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -59.18 94.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.818 1.679 . . . . 0.0 111.333 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -141.54 154.58 45.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.245 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.22 -10.48 59.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.37 67.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.281 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.413 HH21 ' N ' ' D' ' 20' ' ' MET . 99.4 mtt180 -59.18 -34.4 72.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.878 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.34 -41.32 98.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.418 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -63.16 -40.11 96.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.254 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.587 HD11 ' OG1' ' D' ' 17' ' ' THR . 8.6 mt -63.66 -44.12 94.73 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 122.031 0.919 . . . . 0.0 108.541 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' D' ' 33' ' ' ILE . 10.2 tt0 -61.89 -38.42 88.26 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.891 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -64.65 -45.77 85.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.087 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.88 -44.85 88.33 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 6.5 t80 -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.429 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' D' ' 29' ' ' GLN . 86.3 mt -64.7 -44.28 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.682 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -61.71 -48.0 82.75 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.504 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.15 -42.69 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.317 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.539 ' HB3' HD22 ' C' ' 37' ' ' LEU . 96.9 m -66.57 -38.45 87.1 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' E' ' 36' ' ' CYS . 25.7 mt -59.78 -42.16 92.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 28.8 mm -64.32 -43.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.12 -42.49 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.54 -42.81 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.91 -42.91 99.64 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.5 mt -62.33 -41.09 98.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.47 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.36 -39.58 92.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.151 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' D' ' 42' ' ' LEU . 23.9 mt -62.29 -42.83 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -61.14 -38.93 88.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.27 -42.81 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.676 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.77 -41.87 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.388 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.28 -44.65 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.018 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.531 ' SD ' HD13 ' C' ' 52' ' ' LEU . 73.6 mtm -64.11 -41.7 97.15 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.65 -42.06 95.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' E' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.853 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.37 -42.8 10.13 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.39 -45.03 77.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.72 0.771 . . . . 0.0 109.845 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.55 ' O ' HG23 ' E' ' 8' ' ' THR . 11.3 p -62.1 -26.48 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.453 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.34 -36.6 84.24 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.171 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -70.1 -42.1 73.15 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.944 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.445 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.8 mp -62.52 -42.22 99.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.6 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.55 HG23 ' O ' ' E' ' 4' ' ' VAL . 73.8 p -63.3 -41.71 98.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.1 -36.77 84.7 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t -64.09 -32.76 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.277 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.91 83.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.166 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.19 -43.95 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.677 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.482 ' O ' HD13 ' E' ' 28' ' ' LEU . 83.5 mmt-85 -65.38 -39.35 92.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.344 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -59.86 -47.13 86.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.54 69.82 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.822 -0.751 . . . . 0.0 112.697 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -147.41 -16.7 0.38 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.458 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.592 ' OG1' HD11 ' E' ' 28' ' ' LEU . 0.6 OUTLIER -104.94 -13.23 15.86 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 39.5 pt -77.77 -17.28 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.54 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -91.11 -10.77 40.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.186 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 53.7 mtm -125.64 126.55 24.96 Favored Pre-proline 0 C--O 1.223 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.362 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.32 94.57 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.753 1.636 . . . . 0.0 111.395 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -141.55 154.98 45.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.166 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.62 -10.34 59.61 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.43 67.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.228 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -58.99 -34.75 72.2 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.74 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.11 -41.18 99.3 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.612 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -63.31 -40.16 96.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.233 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.592 HD11 ' OG1' ' E' ' 17' ' ' THR . 8.7 mt -63.6 -44.12 94.92 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' E' ' 33' ' ' ILE . 10.1 tt0 -61.97 -38.29 87.98 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.873 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -64.8 -45.67 85.26 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.01 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.91 -44.9 88.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 6.4 t80 -62.59 -49.67 74.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' E' ' 29' ' ' GLN . 86.0 mt -64.9 -44.15 96.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.91 -47.8 83.31 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.479 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -42.93 99.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -66.5 -38.31 86.98 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.546 HD22 ' HB3' ' A' ' 36' ' ' CYS . 26.0 mt -60.05 -42.31 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.0 -43.5 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.18 -42.38 99.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.59 -42.81 97.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.77 -42.9 99.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.407 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' E' ' 45' ' ' ILE . 64.2 mt -62.43 -41.22 98.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.24 -43.48 98.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.3 -39.64 92.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.082 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' E' ' 42' ' ' LEU . 23.9 mt -62.34 -42.94 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.96 -39.02 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.22 -42.86 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.75 -41.82 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.26 -44.69 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.523 ' SD ' HD13 ' D' ' 52' ' ' LEU . 73.6 mtm -64.2 -41.5 97.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.92 -41.72 95.33 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.674 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.539 HD13 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.807 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -90.7 -1.41 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.229 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.24 -44.76 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.446 0.641 . . . . 0.0 110.198 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.43 -29.17 41.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.721 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.45 -41.42 97.19 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -64.62 -39.72 94.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.1 mp -62.25 -40.31 95.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -62.58 -41.41 98.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.628 ' HA ' HD12 ' A' ' 12' ' ' ILE . 72.8 mtt85 -63.71 -38.52 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -62.36 -32.25 73.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.443 0.639 . . . . 0.0 109.49 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.92 79.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.815 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 9' ' ' ARG . 23.2 mt -65.47 -43.03 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.756 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -60.97 -43.75 98.32 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.056 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.44 -43.06 98.49 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.339 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.52 63.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -82.0 -33.14 30.26 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.383 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 ' H ' HG23 ' A' ' 17' ' ' THR . 1.0 OUTLIER -67.36 -38.93 85.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 pt -68.53 -15.15 19.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.68 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.63 -37.03 10.52 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.36 117.99 0.64 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.816 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.36 132.03 42.75 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.756 1.637 . . . . 0.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.613 ' H ' HD11 ' A' ' 28' ' ' LEU . 26.4 mt-30 -67.61 175.2 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.725 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.8 -40.06 91.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.072 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.09 65.84 9.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HE ' HD21 ' E' ' 27' ' ' ASN . 81.8 mtt85 -54.84 -30.25 57.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.495 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.06 -39.93 95.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.486 HD21 ' HE ' ' B' ' 25' ' ' ARG . 91.7 m-20 -65.71 -43.35 89.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD11 ' H ' ' A' ' 22' ' ' GLN . 10.9 mt -62.64 -44.96 94.96 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.365 0.602 . . . . 1.88 109.918 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.18 -36.68 84.44 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.649 -1.159 . . . . 2.17 108.841 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.127 -0.942 . . . . 2.6 110.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.25 -47.94 59.12 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.422 -0.511 . . . . 2.37 110.192 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -55.87 -43.24 76.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.002 0.43 . . . . 2.42 111.798 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG12 HG21 ' E' ' 33' ' ' ILE . 94.1 mt -71.16 -43.18 75.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.013 -0.994 . . . . 2.3 110.374 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.35 -49.62 76.88 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.922 -0.581 . . . . 2.2 110.879 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.0 -37.43 85.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.616 -0.434 . . . . 2.49 110.612 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 m -64.4 -41.18 96.78 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.067 -0.653 . . . . 2.48 109.522 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 29.2 mt -66.61 -36.04 81.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.598 -1.183 . . . . 2.02 109.57 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.0 -45.14 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.327 -0.99 . . . . 2.06 108.327 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.71 -40.24 87.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 2.5 109.445 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.644 HG22 HD12 ' B' ' 40' ' ' ILE . 37.3 mm -63.36 -42.27 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.377 -0.971 . . . . 2.29 108.377 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.0 m -60.5 -46.53 89.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.052 -0.721 . . . . 2.18 109.052 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.42 -42.55 99.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.019 -0.363 . . . . 2.37 110.019 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.65 -42.23 92.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 2.32 109.966 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.7 -36.6 84.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.228 -0.442 . . . . 2.2 110.198 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.5 -42.24 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.572 -0.899 . . . . 2.3 108.572 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.03 -37.83 86.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 2.18 109.617 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 47' ' ' ILE . 36.7 mm -64.17 -42.58 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.19 -0.671 . . . . 2.32 109.19 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' B' ' 47' ' ' ILE . 87.2 mt -63.1 -41.79 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 108.882 -0.785 . . . . 2.72 108.882 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.76 -43.97 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.762 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.465 ' CE ' HD22 ' E' ' 52' ' ' LEU . 87.8 mmm -63.12 -41.09 99.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.16 -37.84 88.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD22 ' CE ' ' B' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.875 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -90.61 -1.44 57.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -111.1 -45.01 3.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.638 . . . . 0.0 110.199 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.25 -28.95 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.686 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.75 -41.38 97.61 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.739 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -64.55 -39.84 94.48 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.0 mp -62.26 -40.0 94.76 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.97 -41.29 99.5 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.619 ' HA ' HD12 ' B' ' 12' ' ' ILE . 72.9 mtt85 -63.76 -38.48 91.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.272 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -62.33 -32.49 73.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.428 0.632 . . . . 0.0 109.548 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.0 81.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.816 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.2 mt -65.31 -43.02 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.767 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.408 ' O ' HG23 ' B' ' 17' ' ' THR . 86.7 mtm-85 -61.1 -43.71 98.46 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.068 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.353 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.54 -17.94 63.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.066 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -81.53 -32.9 32.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.495 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.429 ' HB ' HD13 ' B' ' 28' ' ' LEU . 1.0 OUTLIER -67.5 -39.18 85.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.51 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.32 -15.32 19.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.852 0.358 . . . . 0.0 110.657 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -96.28 -37.31 10.57 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.1 118.05 0.66 Allowed Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 113.179 -1.828 . . . . 0.0 109.735 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -52.23 131.43 39.67 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 121.85 1.7 . . . . 0.0 111.307 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.601 ' H ' HD11 ' B' ' 28' ' ' LEU . 26.4 mt-30 -67.15 175.32 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.795 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.72 -40.99 94.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.45 67.45 10.12 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.486 ' HE ' HD21 ' A' ' 27' ' ' ASN . 81.7 mtt85 -56.5 -29.71 62.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.41 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.77 -43.06 99.79 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.517 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.497 HD21 ' HE ' ' C' ' 25' ' ' ARG . 93.8 m-20 -64.19 -40.93 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.109 0.48 . . . . 0.0 110.215 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 ' H ' ' B' ' 22' ' ' GLN . 11.7 mt -63.98 -45.08 90.64 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.482 0.658 . . . . 0.0 109.354 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -63.84 -35.88 82.09 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.223 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.98 -44.04 93.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.52 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.15 -44.54 75.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.385 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.54 -48.29 79.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.089 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.424 HG21 HG12 ' C' ' 33' ' ' ILE . 97.0 mt -67.6 -43.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.175 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.28 -49.36 77.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.72 -37.83 87.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.44 -44.38 94.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.5 -43.01 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.65 -40.09 93.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 40' ' ' ILE . 37.6 mm -63.37 -42.3 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' C' ' 40' ' ' ILE . 71.1 m -61.05 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.87 98.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.59 -42.27 98.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.682 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.94 -35.99 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.07 -42.31 92.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.89 -37.69 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.614 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 47' ' ' ILE . 36.7 mm -64.21 -42.96 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.419 HG13 HD11 ' C' ' 47' ' ' ILE . 87.4 mt -62.65 -41.67 93.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.05 -43.85 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.481 ' CE ' HD22 ' A' ' 52' ' ' LEU . 87.9 mmm -63.12 -41.05 99.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.254 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.27 -37.99 88.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.48 HD22 ' CE ' ' C' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.864 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -90.95 -1.7 57.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -110.9 -45.04 3.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.499 0.666 . . . . 0.0 110.269 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.18 -29.06 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.715 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.67 -41.4 97.49 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.82 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -64.59 -39.72 94.24 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.439 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.1 mp -62.4 -39.91 94.79 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -41.31 99.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.624 ' HA ' HD12 ' C' ' 12' ' ' ILE . 73.0 mtt85 -63.57 -38.62 91.82 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -62.34 -32.22 72.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.457 0.646 . . . . 0.0 109.583 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.59 -41.08 80.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.702 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' C' ' 9' ' ' ARG . 23.0 mt -65.32 -43.11 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.849 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.404 ' O ' HG23 ' C' ' 17' ' ' THR . 86.6 mtm-85 -61.01 -43.7 98.5 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -63.34 -42.94 98.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.4 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.4 -17.42 63.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.093 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -82.12 -32.93 29.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.385 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.443 HG23 ' H ' ' C' ' 17' ' ' THR . 1.0 OUTLIER -67.46 -39.06 85.29 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -68.41 -15.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.888 0.375 . . . . 0.0 110.72 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -96.41 -37.39 10.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttm -168.04 117.92 0.66 Allowed Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 113.17 -1.832 . . . . 0.0 109.814 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.35 131.46 40.29 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.775 1.65 . . . . 0.0 111.314 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.602 ' H ' HD11 ' C' ' 28' ' ' LEU . 26.4 mt-30 -67.17 175.05 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.769 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.41 -41.02 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.51 67.56 10.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.497 ' HE ' HD21 ' B' ' 27' ' ' ASN . 81.8 mtt85 -56.68 -29.97 62.92 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.58 -42.89 99.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.485 HD21 ' HE ' ' D' ' 25' ' ' ARG . 93.9 m-20 -64.38 -40.84 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.27 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.602 HD11 ' H ' ' C' ' 22' ' ' GLN . 11.7 mt -63.98 -45.17 90.24 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.435 0.636 . . . . 0.0 109.307 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -63.71 -36.12 82.8 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.187 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -63.71 -44.3 94.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.01 -44.52 76.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.362 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.55 -48.3 79.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.011 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.424 HG12 HG21 ' B' ' 33' ' ' ILE . 97.1 mt -67.54 -43.11 87.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.14 -49.32 78.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -65.8 -37.71 87.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.208 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.58 -44.56 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.2 -35.64 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.39 -42.91 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.62 -40.1 93.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.633 HD12 HG22 ' B' ' 40' ' ' ILE . 37.6 mm -63.36 -42.33 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.464 ' SG ' HD11 ' D' ' 40' ' ' ILE . 72.0 m -61.31 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.5 -40.53 97.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.05 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.78 -42.39 98.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.754 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.82 -36.09 82.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.332 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.27 92.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.79 -37.8 85.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.602 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.491 HD12 HG22 ' B' ' 47' ' ' ILE . 37.0 mm -64.17 -42.97 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' D' ' 47' ' ' ILE . 87.7 mt -62.63 -41.71 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.92 -43.75 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.48 ' CE ' HD22 ' B' ' 52' ' ' LEU . 87.5 mmm -63.3 -40.94 98.73 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.35 -37.76 88.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE ' ' D' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.567 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -90.44 -1.78 57.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -110.73 -44.99 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.408 0.623 . . . . 0.0 110.304 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.24 -29.19 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.67 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.44 -41.51 97.3 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.789 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -64.56 -39.79 94.38 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.439 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.1 mp -62.35 -39.76 94.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -63.13 -41.32 99.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.631 ' HA ' HD12 ' D' ' 12' ' ' ILE . 72.9 mtt85 -63.65 -38.47 91.25 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.27 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -62.38 -32.33 73.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.382 0.611 . . . . 0.0 109.526 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.12 80.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.728 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' D' ' 9' ' ' ARG . 23.1 mt -65.34 -43.11 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.839 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.403 ' O ' HG23 ' D' ' 17' ' ' THR . 86.5 mtm-85 -60.98 -43.71 98.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.138 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -63.43 -42.68 98.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.336 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.73 -17.18 63.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -82.24 -32.85 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.476 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.438 ' HB ' HD13 ' D' ' 28' ' ' LEU . 1.0 OUTLIER -67.64 -39.04 84.64 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.39 -15.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.886 0.374 . . . . 0.0 110.683 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -96.74 -37.26 10.37 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttm -168.14 117.89 0.65 Allowed Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 113.179 -1.828 . . . . 0.0 109.766 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.32 131.27 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.851 1.701 . . . . 0.0 111.355 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' GLN . . . . . 0.588 ' H ' HD11 ' D' ' 28' ' ' LEU . 26.4 mt-30 -67.0 174.94 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.4 -40.74 92.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.117 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.84 67.53 10.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.485 ' HE ' HD21 ' C' ' 27' ' ' ASN . 81.7 mtt85 -56.66 -29.7 62.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.378 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.8 -43.01 99.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.474 HD21 ' HE ' ' E' ' 25' ' ' ARG . 94.0 m-20 -64.3 -40.88 96.83 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.246 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.588 HD11 ' H ' ' D' ' 22' ' ' GLN . 11.6 mt -63.98 -45.15 90.36 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -63.66 -36.17 82.96 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.227 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -63.73 -44.41 93.63 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.58 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.96 -44.41 76.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.378 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.66 -48.11 80.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.959 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.438 HG21 HG12 ' E' ' 33' ' ' ILE . 97.2 mt -67.69 -43.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.32 -48.97 79.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -66.04 -37.84 86.88 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.198 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.58 -44.57 93.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.14 -35.71 81.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.047 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.31 -42.93 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.59 -40.14 93.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.63 HG22 HD12 ' E' ' 40' ' ' ILE . 37.9 mm -63.39 -42.35 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.471 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.4 m -61.22 -45.2 95.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.542 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.53 -40.7 97.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.39 98.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.709 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.7 -36.32 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.254 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.92 -42.23 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 81.3 m -61.92 -37.74 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.559 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.472 HD12 HG22 ' C' ' 47' ' ' ILE . 37.0 mm -64.18 -42.91 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' E' ' 47' ' ' ILE . 86.3 mt -62.72 -41.6 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.06 -43.75 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.487 ' CE ' HD22 ' C' ' 52' ' ' LEU . 87.7 mmm -63.26 -40.87 98.64 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.238 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.46 -37.77 87.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.484 HD22 ' CE ' ' E' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.834 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mtp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -90.56 -1.62 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.198 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.95 -44.94 3.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.506 0.669 . . . . 0.0 110.239 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.38 -29.05 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.716 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.67 -41.36 97.46 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -64.51 -39.76 94.37 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.1 mp -62.41 -39.86 94.66 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.97 -41.45 99.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' E' ' 12' ' ' ILE . 73.0 mtt85 -63.61 -38.46 91.22 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -62.38 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.361 0.6 . . . . 0.0 109.419 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.21 80.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.742 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' E' ' 9' ' ' ARG . 22.9 mt -65.29 -43.06 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.865 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.408 ' O ' HG23 ' E' ' 17' ' ' THR . 86.6 mtm-85 -61.08 -43.58 98.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.66 -42.78 98.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -17.63 63.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.3 m -81.88 -32.94 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.431 ' HB ' HD13 ' E' ' 28' ' ' LEU . 1.0 OUTLIER -67.54 -39.08 85.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -68.42 -15.18 19.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.677 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -96.42 -37.29 10.51 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.21 118.07 0.65 Allowed Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 113.177 -1.829 . . . . 0.0 109.78 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -52.45 131.12 39.18 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.777 1.651 . . . . 0.0 111.413 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' GLN . . . . . 0.585 ' H ' HD11 ' E' ' 28' ' ' LEU . 26.5 mt-30 -66.68 175.25 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.77 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.77 -40.91 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.5 67.36 10.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.474 ' HE ' HD21 ' D' ' 27' ' ' ASN . 81.7 mtt85 -56.39 -29.88 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.352 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.54 -43.39 98.94 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.51 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.489 HD21 ' HE ' ' A' ' 25' ' ' ARG . 93.8 m-20 -64.04 -40.82 97.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.213 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.585 HD11 ' H ' ' E' ' 22' ' ' GLN . 11.7 mt -63.92 -45.3 89.86 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.206 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.8 -44.56 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.409 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.5 -48.34 79.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.438 HG12 HG21 ' D' ' 33' ' ' ILE . 97.3 mt -67.7 -43.05 86.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.072 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.28 -49.3 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -65.82 -37.81 87.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.61 -44.29 94.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.42 -35.56 81.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.043 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.43 -43.09 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.53 -40.08 93.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.63 HD12 HG22 ' D' ' 40' ' ' ILE . 37.6 mm -63.42 -42.32 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' ' 40' ' ' ILE . 71.8 m -61.09 -45.47 94.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.596 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -40.72 98.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.084 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.24 98.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.73 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.99 -36.03 82.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.36 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.91 -37.56 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.477 HG22 HD12 ' A' ' 47' ' ' ILE . 36.5 mm -64.3 -42.99 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.411 HG13 HD11 ' A' ' 47' ' ' ILE . 87.0 mt -62.61 -41.64 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.02 -43.88 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.777 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.484 ' CE ' HD22 ' D' ' 52' ' ' LEU . 87.2 mmm -63.07 -41.0 99.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.39 -37.92 88.44 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.908 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -79.54 6.88 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.292 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.16 -46.54 89.33 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.41 -32.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.027 -1.442 . . . . 0.0 111.004 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -34.03 77.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.24 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -66.89 -54.49 21.69 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.3 mp -55.73 -39.53 71.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.3 m -61.01 -49.89 75.58 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 12' ' ' ILE . 78.2 ttt180 -56.28 -44.66 80.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.278 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -65.82 -32.08 73.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.103 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.28 94.28 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.8 mt -60.52 -43.2 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.693 ' O ' HD13 ' A' ' 28' ' ' LEU . 95.6 mtt180 -62.46 -45.46 92.97 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -53.49 -55.61 23.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.79 69.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.119 -1.032 . . . . 0.0 112.284 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -142.52 -25.82 0.63 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.115 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.601 ' OG1' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -101.5 -15.04 17.26 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.5 pt -67.99 -19.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.74 -10.14 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.028 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.492 ' N ' HH21 ' A' ' 25' ' ' ARG . 47.1 mtm -119.79 110.75 36.5 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.667 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -49.82 95.44 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 122.304 2.003 . . . . 0.0 111.433 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.09 156.64 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.826 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -70.88 -11.39 60.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.6 68.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.747 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.492 HH21 ' N ' ' A' ' 20' ' ' MET . 95.2 mtt180 -58.57 -38.75 78.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.698 HE22 ' HB3' ' E' ' 26' ' ' GLN . 8.9 mm100 -66.9 -35.0 79.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.268 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -64.03 -42.83 96.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -65.67 -45.87 81.25 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 119.967 -0.693 . . . . 2.02 109.682 -179.567 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.72 -40.75 69.54 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 114.522 -1.217 . . . . 2.01 108.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.455 -1.248 . . . . 2.64 111.036 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.79 -48.6 63.24 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.374 -0.531 . . . . 2.4 111.766 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -58.41 -40.03 81.32 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.523 -0.471 . . . . 2.38 111.251 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -68.24 -43.56 84.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.521 -0.763 . . . . 2.3 109.927 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.7 -46.21 89.19 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.596 -0.441 . . . . 2.2 110.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -62.66 -42.73 99.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.82 -0.352 . . . . 2.4 110.277 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 88.8 m -62.84 -39.26 93.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.448 -0.501 . . . . 2.52 109.805 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' B' ' 36' ' ' CYS . 25.5 mt -65.99 -38.27 88.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.1 109.975 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.24 -43.69 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.919 -0.771 . . . . 1.99 108.919 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.49 -40.47 82.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.33 -0.619 . . . . 2.44 109.33 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.553 HG22 HD12 ' B' ' 40' ' ' ILE . 37.2 mm -63.29 -42.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.664 -0.865 . . . . 2.39 108.664 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' SG ' HD11 ' B' ' 40' ' ' ILE . 73.4 m -60.62 -45.05 95.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.943 -0.762 . . . . 2.18 108.943 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.7 -43.06 99.58 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.669 0.271 . . . . 2.23 110.574 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.99 -42.78 90.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 2.35 109.133 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.55 -39.07 93.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.593 . . . . 2.27 109.617 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.39 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.795 -0.817 . . . . 2.37 108.795 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.95 -39.33 89.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.572 . . . . 2.32 109.669 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.13 -41.63 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.645 -0.707 . . . . 2.13 110.147 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.576 HG23 ' SD ' ' B' ' 50' ' ' MET . 80.0 mt -64.18 -44.22 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.561 -0.745 . . . . 2.66 109.176 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.2 -44.66 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.957 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.522 ' SD ' HG23 ' E' ' 48' ' ' ILE . 47.2 mtt -64.08 -39.1 93.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.226 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.82 -38.77 92.1 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.994 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mtp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.42 6.53 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.256 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.43 -45.26 94.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.771 0.796 . . . . 0.0 108.859 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.4 -32.56 58.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -34.58 78.23 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.265 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -67.14 -47.2 71.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.3 mp -62.31 -40.43 96.28 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.382 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 72.6 m -61.94 -43.84 98.01 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' B' ' 12' ' ' ILE . 77.9 ttt180 -61.98 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.583 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -65.88 -32.29 73.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.237 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.74 93.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.087 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.0 mt -62.81 -43.34 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.062 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.587 ' O ' HD13 ' B' ' 28' ' ' LEU . 95.5 mtt180 -65.25 -38.25 89.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.493 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -59.69 -51.66 68.82 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.98 71.13 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -143.7 -26.47 0.55 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.601 ' OG1' HD11 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -101.24 -15.3 17.35 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 pt -67.87 -19.5 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.0 109.569 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.82 -10.27 26.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.949 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.493 ' N ' HH21 ' B' ' 25' ' ' ARG . 47.1 mtm -119.81 110.85 36.38 Favored Pre-proline 0 C--O 1.224 -0.244 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.92 95.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.236 1.957 . . . . 0.0 111.421 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.38 156.23 44.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.908 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.55 -11.42 60.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -26.11 68.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.493 HH21 ' N ' ' B' ' 20' ' ' MET . 95.3 mtt180 -58.09 -38.75 77.01 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.681 ' HB3' HE22 ' C' ' 26' ' ' GLN . 9.2 mm100 -66.31 -36.96 84.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.012 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.24 -39.35 94.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.45 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 ' OG1' ' B' ' 17' ' ' THR . 0.6 OUTLIER -68.75 -45.76 70.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.021 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.79 -40.14 69.15 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.095 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -63.81 -44.65 92.66 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.464 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -45.04 87.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.76 -43.97 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.769 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.27 -43.57 95.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.63 -47.2 84.79 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.987 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.05 -43.91 98.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 37' ' ' LEU . 76.2 m -61.7 -41.6 97.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.62 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.9 mt -64.21 -38.34 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -62.16 -42.12 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.98 -40.36 88.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.553 HD12 HG22 ' A' ' 40' ' ' ILE . 37.4 mm -63.17 -42.54 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.463 ' SG ' HD11 ' C' ' 40' ' ' ILE . 74.0 m -61.11 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.735 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.09 -41.57 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.18 -42.24 98.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.75 -39.04 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.553 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.27 -39.15 89.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.87 -42.83 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.05 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.9 mt -63.47 -42.62 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.631 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.84 -44.67 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.613 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.576 ' SD ' HG23 ' A' ' 48' ' ' ILE . 46.7 mtt -64.11 -38.83 92.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.183 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.98 -39.09 92.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.184 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -79.5 6.46 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.249 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.24 -45.26 93.86 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.53 -32.46 58.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -34.29 77.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.304 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.46 -47.05 71.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.403 ' N ' HD12 ' C' ' 7' ' ' LEU . 7.2 mp -62.32 -40.7 97.2 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.313 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 68.1 m -61.95 -43.51 98.69 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.615 ' HA ' HD12 ' C' ' 12' ' ' ILE . 78.0 ttt180 -62.47 -43.9 97.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.708 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -66.09 -32.05 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.095 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.72 92.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.176 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' C' ' 9' ' ' ARG . 23.4 mt -62.87 -43.36 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.86 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.585 ' O ' HD13 ' C' ' 28' ' ' LEU . 95.2 mtt180 -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.636 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -59.9 -51.93 67.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.49 71.02 0.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.394 -0.923 . . . . 0.0 112.814 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -143.85 -25.84 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.588 ' OG1' HD11 ' C' ' 28' ' ' LEU . 0.5 OUTLIER -101.53 -15.21 17.18 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 pt -67.89 -19.79 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.61 -10.35 27.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.824 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.492 ' N ' HH21 ' C' ' 25' ' ' ARG . 47.9 mtm -119.59 110.72 36.86 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.641 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -49.83 95.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.17 1.914 . . . . 0.0 111.586 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.56 156.37 44.58 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.851 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.42 -11.74 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -26.04 68.43 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.703 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.492 HH21 ' N ' ' C' ' 20' ' ' MET . 95.3 mtt180 -58.31 -38.87 77.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.705 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.681 HE22 ' HB3' ' B' ' 26' ' ' GLN . 9.2 mm100 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.078 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.401 ' O ' HD13 ' C' ' 31' ' ' LEU . 22.5 m120 -63.33 -39.2 93.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.482 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.588 HD11 ' OG1' ' C' ' 17' ' ' THR . 0.6 OUTLIER -68.69 -45.82 70.65 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.047 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.93 -40.0 69.43 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.036 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -63.87 -44.65 92.46 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.501 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.401 HD13 ' O ' ' C' ' 27' ' ' ASN . 7.5 mp -65.22 -44.95 86.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -60.74 -44.25 96.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.586 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.09 -43.66 95.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.487 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.63 -46.88 86.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.458 ' HB2' HD13 ' B' ' 37' ' ' LEU . 82.7 m -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.714 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.5 mt -64.42 -38.19 90.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mm -62.39 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.04 -40.2 88.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.529 HG22 HD12 ' D' ' 40' ' ' ILE . 36.8 mm -63.36 -42.53 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' D' ' 40' ' ' ILE . 74.0 m -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.709 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.95 -41.38 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.35 -41.89 97.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.25 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.571 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.45 -43.0 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.52 -39.03 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -64.97 -42.76 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.546 HG23 ' SD ' ' D' ' 50' ' ' MET . 81.7 mt -63.54 -42.72 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.642 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.61 -44.87 99.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' B' ' 48' ' ' ILE . 46.3 mtt -63.97 -39.08 93.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.22 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.79 -38.93 92.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.292 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -79.69 6.64 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.38 -45.01 95.09 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.867 0.841 . . . . 0.0 109.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.69 -32.45 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -34.32 77.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.326 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -67.41 -46.97 71.63 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.403 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.2 mp -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.281 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 69.7 m -62.13 -43.54 98.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' D' ' 12' ' ' ILE . 78.2 ttt180 -62.36 -43.93 97.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -66.05 -32.26 73.62 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.123 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.79 93.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.136 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' D' ' 9' ' ' ARG . 23.7 mt -62.94 -43.22 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.827 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.583 ' O ' HD13 ' D' ' 28' ' ' LEU . 95.3 mtt180 -65.23 -38.29 89.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -59.63 -51.62 69.04 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.85 71.02 0.14 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.829 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 16.1 m -143.79 -25.87 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.837 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.597 ' OG1' HD11 ' D' ' 28' ' ' LEU . 0.5 OUTLIER -101.44 -15.55 17.14 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.62 -19.94 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.291 0.567 . . . . 0.0 109.546 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.52 -10.27 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.97 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.482 ' N ' HH21 ' D' ' 25' ' ' ARG . 47.3 mtm -119.64 110.8 36.7 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -49.84 95.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.177 1.918 . . . . 0.0 111.481 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -143.86 155.91 44.28 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.832 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.02 -11.75 61.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -26.14 68.49 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.811 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.482 HH21 ' N ' ' D' ' 20' ' ' MET . 95.3 mtt180 -58.16 -38.78 77.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.679 HE22 ' HB3' ' C' ' 26' ' ' GLN . 9.3 mm100 -66.18 -37.21 85.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.26 -39.39 94.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.488 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.597 HD11 ' OG1' ' D' ' 17' ' ' THR . 0.6 OUTLIER -68.69 -45.59 71.26 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.077 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -54.82 -40.3 69.42 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.95 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -63.54 -44.93 92.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.56 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.86 -44.96 88.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.754 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.03 -43.67 95.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.7 -46.64 87.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.097 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.46 -43.48 98.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.456 ' HB2' HD13 ' C' ' 37' ' ' LEU . 85.3 m -62.18 -41.41 98.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.666 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' E' ' 36' ' ' CYS . 27.1 mt -64.33 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.368 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.26 -41.92 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.28 -40.06 89.08 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 40' ' ' ILE . 37.2 mm -63.52 -42.45 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.462 ' SG ' HD11 ' E' ' 40' ' ' ILE . 73.8 m -61.25 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.655 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.47 -42.06 98.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.94 -38.9 92.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.627 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.37 -43.01 97.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.53 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.91 -42.78 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.957 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' E' ' 50' ' ' MET . 81.9 mt -63.55 -42.65 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.743 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.69 -44.8 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.608 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.546 ' SD ' HG23 ' C' ' 48' ' ' ILE . 46.8 mtt -64.02 -39.05 93.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.77 -38.9 92.54 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.178 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -79.64 6.34 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.26 -44.8 94.97 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.739 0.78 . . . . 0.0 109.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.79 -32.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -34.81 78.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.228 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -67.03 -47.25 71.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.15 -40.74 96.99 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -61.89 -43.69 98.34 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' E' ' 12' ' ' ILE . 78.0 ttt180 -62.21 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.645 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -66.31 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.121 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.85 93.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.4 mt -62.75 -43.33 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.901 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.567 ' O ' HD13 ' E' ' 28' ' ' LEU . 95.3 mtt180 -65.23 -38.28 89.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.595 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -59.75 -51.65 68.84 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.8 71.02 0.14 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.873 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -143.64 -26.26 0.56 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.726 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.604 ' OG1' HD11 ' E' ' 28' ' ' LEU . 0.5 OUTLIER -101.23 -15.5 17.29 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.5 -19.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.8 -10.16 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.496 ' N ' HH21 ' E' ' 25' ' ' ARG . 47.6 mtm -119.82 110.83 36.38 Favored Pre-proline 0 C--O 1.225 -0.207 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.604 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -49.85 95.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.25 1.967 . . . . 0.0 111.439 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -143.53 156.14 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.878 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.24 -11.57 60.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.19 68.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.687 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.496 HH21 ' N ' ' E' ' 20' ' ' MET . 95.3 mtt180 -58.07 -38.58 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.698 ' HB3' HE22 ' A' ' 26' ' ' GLN . 9.2 mm100 -66.46 -37.09 84.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.111 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -63.23 -39.68 95.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.604 HD11 ' OG1' ' E' ' 17' ' ' THR . 0.6 OUTLIER -68.3 -45.78 72.1 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -54.8 -40.32 69.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.965 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -63.48 -45.2 91.87 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.73 -44.91 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.55 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.24 -43.51 95.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -62.56 -46.72 87.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -61.43 -43.78 98.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD13 ' D' ' 37' ' ' LEU . 76.3 m -61.89 -41.67 98.16 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.354 -0.539 . . . . 0.0 109.633 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 26.8 mt -64.22 -38.24 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.313 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mm -62.29 -42.02 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.13 -40.26 89.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.525 HG22 HD12 ' A' ' 40' ' ' ILE . 37.3 mm -63.23 -42.4 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 40' ' ' ILE . 74.4 m -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.756 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.19 -41.46 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.76 -39.03 93.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.49 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.42 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.04 -42.79 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 50' ' ' MET . 81.2 mt -63.41 -42.65 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.608 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.83 -44.64 99.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.648 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.554 ' SD ' HG23 ' D' ' 48' ' ' ILE . 47.2 mtt -64.03 -39.03 93.18 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.75 -39.17 93.18 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 ttp . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.79 3.46 29.34 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.96 -39.26 93.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.937 0.875 . . . . 0.0 108.732 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 8' ' ' THR . 4.0 m -60.5 -25.93 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.157 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.19 -36.04 82.95 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.127 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -69.72 -40.82 76.0 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.0 mp -63.21 -44.89 94.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.055 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 4' ' ' VAL . 71.7 p -66.49 -38.5 87.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 12' ' ' ILE . 78.0 ttt180 -63.84 -42.18 97.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.792 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -68.58 -30.27 68.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.793 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.1 96.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 9' ' ' ARG . 22.8 mt -63.77 -41.91 94.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.027 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 HH21 ' NE ' ' A' ' 9' ' ' ARG . 95.9 mtt-85 -61.39 -38.96 88.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.541 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.33 -39.6 95.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.98 -9.28 58.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.61 -21.78 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.92 -31.74 27.62 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.041 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.11 -12.1 15.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB3' HD11 ' E' ' 31' ' ' LEU . 12.0 pt-20 -138.1 20.5 2.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -35.71 124.54 0.65 Allowed Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 124.068 0.855 . . . . 0.0 111.633 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.95 110.51 3.09 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 121.899 1.733 . . . . 0.0 111.374 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -120.31 -173.71 2.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.229 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.87 -21.89 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.502 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.13 66.97 1.53 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -55.92 -32.21 63.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 110.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -67.98 -42.52 80.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt -64.14 -46.59 83.41 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.193 -0.669 . . . . 1.9 109.193 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -58.93 -38.62 79.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.551 -1.204 . . . . 2.19 108.357 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -64.27 -40.21 95.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.707 -1.133 . . . . 2.65 109.848 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' B' ' 19' ' ' GLU . 8.3 mp -68.8 -47.75 65.33 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.426 -0.51 . . . . 2.34 111.263 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.81 -40.34 83.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.386 -0.526 . . . . 2.37 111.241 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.14 -43.69 81.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 2.3 109.955 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.23 -46.53 88.43 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.428 -0.509 . . . . 2.29 110.168 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -63.22 -43.36 98.33 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.188 -0.205 . . . . 2.47 110.652 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 93.7 m -63.57 -39.28 93.99 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.386 -0.526 . . . . 2.42 110.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 ' HB2' ' B' ' 36' ' ' CYS . 27.8 mt -65.57 -39.14 91.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.349 -0.841 . . . . 2.01 109.437 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.1 -44.91 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.891 -0.781 . . . . 2.19 108.891 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.63 -38.13 86.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.659 -0.497 . . . . 2.56 109.659 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.94 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.723 -0.844 . . . . 2.26 108.723 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.74 -40.63 95.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.029 -0.987 . . . . 1.99 109.391 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.67 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.881 -0.414 . . . . 2.34 109.881 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.256 -0.646 . . . . 2.54 109.256 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.97 -39.21 94.0 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.761 -0.654 . . . . 2.24 109.486 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -58.78 -41.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.446 -0.946 . . . . 2.22 108.446 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.73 -36.57 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 2.11 109.294 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.91 -42.73 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 2.27 109.298 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.84 -43.74 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 109.038 -0.727 . . . . 2.92 109.038 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -60.92 -45.22 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.297 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 88.1 mmm -63.67 -40.47 96.9 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.39 -38.71 92.0 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.04 3.45 26.72 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.06 -38.9 92.75 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 122.025 0.917 . . . . 0.0 108.726 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.497 ' O ' HG23 ' B' ' 8' ' ' THR . 4.2 m -61.04 -25.97 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.933 -1.485 . . . . 0.0 110.123 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.99 -36.42 84.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.142 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.46 -40.92 76.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.9 mp -63.63 -42.65 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.82 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 4' ' ' VAL . 75.5 p -69.24 -36.54 77.27 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' B' ' 12' ' ' ILE . 77.6 ttt180 -64.95 -42.4 94.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.507 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -68.53 -30.46 69.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.745 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.15 94.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.1 mt -64.64 -42.14 94.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.002 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.405 HH21 ' NE ' ' B' ' 9' ' ' ARG . 95.9 mtt-85 -60.82 -39.29 88.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.405 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -62.94 -40.15 96.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.06 58.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.92 -21.42 23.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 13' ' ' ARG . 1.2 p -83.23 -31.89 26.77 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.968 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.05 -12.04 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.405 ' HB3' HD11 ' A' ' 31' ' ' LEU . 12.0 pt-20 -138.2 20.81 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.45 124.65 0.74 Allowed Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 124.02 0.825 . . . . 0.0 111.702 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.81 110.32 3.06 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.008 1.805 . . . . 0.0 111.442 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -120.42 -173.62 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -67.64 -22.57 65.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.67 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.07 71.74 1.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.679 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -60.35 -31.49 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -64.34 -33.12 75.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.981 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' B' ' 26' ' ' GLN . 86.6 m-20 -66.09 -41.28 90.88 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.21 -47.56 79.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -59.26 -37.01 76.56 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.933 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.372 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' C' ' 19' ' ' GLU . 8.3 mp -65.92 -44.4 85.26 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.16 -44.97 96.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.09 -43.74 95.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.654 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -62.52 -46.7 87.22 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.977 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -62.22 -43.75 98.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.475 ' HB2' HD13 ' A' ' 37' ' ' LEU . 90.7 m -63.49 -41.68 98.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.785 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 36' ' ' CYS . 30.2 mt -63.38 -39.4 94.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.987 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.97 -43.14 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.78 -38.66 91.5 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.72 -42.64 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.05 -39.99 94.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.959 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -41.57 99.57 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.79 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.08 -43.43 98.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.15 -36.94 85.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.78 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.78 -41.33 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.68 -36.31 78.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.9 -42.76 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.459 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.96 -44.94 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.107 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.69 -40.53 97.03 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.221 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.39 -38.61 91.65 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.56 3.38 28.83 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.85 -38.9 92.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 122.003 0.906 . . . . 0.0 108.726 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.494 ' O ' HG23 ' C' ' 8' ' ' THR . 4.0 m -61.12 -25.85 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.224 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -65.14 -36.21 83.54 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.086 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.57 -40.92 76.47 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.882 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.8 mp -63.69 -42.71 97.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 4' ' ' VAL . 76.9 p -69.03 -36.59 77.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' C' ' 12' ' ' ILE . 78.0 ttt180 -65.04 -42.17 94.54 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.58 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -68.68 -30.35 69.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.702 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.27 94.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' C' ' 9' ' ' ARG . 23.1 mt -64.66 -42.0 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.896 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.4 HH21 ' NE ' ' C' ' 9' ' ' ARG . 95.9 mtt-85 -60.95 -38.91 87.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.462 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.36 -39.84 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 109.442 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.8 -9.19 58.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.491 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -88.81 -21.84 23.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.74 -32.03 28.1 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.988 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 45.3 pt -68.84 -12.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.432 ' HB3' HD11 ' B' ' 31' ' ' LEU . 12.0 pt-20 -138.19 20.84 2.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.31 124.44 0.73 Allowed Pre-proline 0 CA--C 1.534 0.351 0 O-C-N 124.083 0.864 . . . . 0.0 111.587 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.9 110.94 3.18 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 121.845 1.697 . . . . 0.0 111.321 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -120.79 -173.82 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.163 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -22.67 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.6 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.91 71.7 1.46 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -60.27 -31.82 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -64.01 -32.9 74.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.986 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' C' ' 26' ' ' GLN . 86.6 m-20 -66.39 -41.29 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.409 -0.517 . . . . 0.0 109.713 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 13.2 mt -64.36 -46.85 81.62 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.83 -36.7 77.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.896 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -65.13 -43.28 92.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.338 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' D' ' 19' ' ' GLU . 8.3 mp -66.14 -44.5 84.0 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.12 -45.09 96.09 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.712 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.93 -43.84 96.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -62.39 -46.88 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.045 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.14 -43.7 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.562 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' B' ' 37' ' ' LEU . 91.9 m -63.49 -41.73 98.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.762 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' D' ' 36' ' ' CYS . 28.7 mt -63.46 -39.27 94.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.92 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -43.15 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.82 -38.77 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.53 -42.52 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 96.4 m -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.943 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.12 -41.59 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.713 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 60.2 mt -63.02 -43.43 98.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.1 -37.17 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.6 -41.35 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.62 -36.74 79.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.56 -43.3 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.69 -42.75 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.469 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.98 -45.0 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.085 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.8 -40.41 96.58 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.37 -38.8 92.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.037 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.28 3.32 28.08 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.87 -38.94 92.96 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.912 0.863 . . . . 0.0 108.68 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.494 ' O ' HG23 ' D' ' 8' ' ' THR . 4.1 m -60.83 -26.04 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.17 -36.05 83.0 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.196 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.66 -40.78 76.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.771 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.436 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.9 mp -63.85 -42.72 97.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 8' ' ' THR . . . . . 0.494 HG23 ' O ' ' D' ' 4' ' ' VAL . 76.4 p -69.06 -36.68 77.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.539 ' HA ' HD12 ' D' ' 12' ' ' ILE . 77.9 ttt180 -64.98 -42.18 94.78 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.566 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -68.61 -30.63 69.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.741 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.3 95.21 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' D' ' 9' ' ' ARG . 23.6 mt -64.57 -42.0 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.026 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.406 HH21 ' NE ' ' D' ' 9' ' ' ARG . 95.9 mtt-85 -61.04 -38.69 87.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.448 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.67 -39.63 94.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -9.19 58.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.38 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.79 -22.0 23.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' D' ' 13' ' ' ARG . 1.2 p -82.7 -32.02 28.24 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.108 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 45.8 pt -68.9 -12.05 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' C' ' 31' ' ' LEU . 12.0 pt-20 -138.31 20.76 2.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.26 124.54 0.72 Allowed Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 124.12 0.888 . . . . 0.0 111.654 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.88 110.59 3.11 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.916 1.744 . . . . 0.0 111.354 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -120.59 -174.11 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.086 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -67.25 -22.58 65.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.637 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.9 71.49 1.46 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -60.07 -32.19 70.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -63.7 -32.79 74.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.026 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' D' ' 26' ' ' GLN . 86.5 m-20 -66.28 -41.31 90.02 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.227 0.537 . . . . 0.0 109.784 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 13.4 mt -64.39 -47.08 80.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.71 -36.96 77.6 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.81 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -64.79 -43.33 93.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.416 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' E' ' 19' ' ' GLU . 8.4 mp -66.21 -44.38 84.04 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -61.19 -44.98 96.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.675 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.04 -43.88 95.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.32 -46.92 86.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.173 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.93 -43.99 97.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' C' ' 37' ' ' LEU . 92.1 m -63.34 -41.75 98.89 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.791 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' E' ' 36' ' ' CYS . 29.1 mt -63.39 -39.26 94.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.06 -43.33 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.72 -38.73 91.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.63 -42.64 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.26 -39.49 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.97 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.99 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.31 -37.08 85.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.56 -41.52 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.48 -36.59 78.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.73 -43.1 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.89 -42.72 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.84 -44.9 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.85 -40.49 96.68 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.199 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.31 -38.75 92.15 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' D' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.9 ttp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.16 3.19 28.12 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.78 -38.97 93.1 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.961 0.886 . . . . 0.0 108.674 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.494 ' O ' HG23 ' E' ' 8' ' ' THR . 4.1 m -60.84 -25.96 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 113.93 -1.487 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -65.14 -36.19 83.46 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.151 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.55 -40.64 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.765 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.8 mp -63.89 -42.68 97.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.494 HG23 ' O ' ' E' ' 4' ' ' VAL . 76.8 p -69.22 -36.72 77.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' E' ' 12' ' ' ILE . 77.9 ttt180 -64.75 -42.3 95.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.564 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 78.4 p -68.7 -30.5 69.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.762 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.27 94.92 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' E' ' 9' ' ' ARG . 22.9 mt -64.54 -41.98 93.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.998 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.412 HH21 ' NE ' ' E' ' 9' ' ' ARG . 95.9 mtt-85 -60.93 -38.95 87.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.461 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.36 -39.99 96.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.69 -9.18 58.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.95 -21.63 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.402 HG23 ' O ' ' E' ' 13' ' ' ARG . 1.2 p -82.96 -32.0 27.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.067 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 pt -68.82 -12.47 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.991 0.424 . . . . 0.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' GLU . . . . . 0.424 ' HB3' HD11 ' D' ' 31' ' ' LEU . 12.1 pt-20 -137.92 20.92 2.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.239 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.42 124.72 0.74 Allowed Pre-proline 0 CA--C 1.535 0.381 0 O-C-N 124.073 0.858 . . . . 0.0 111.58 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.92 110.49 3.09 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -120.41 -173.77 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.55 -22.59 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.81 71.52 1.46 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -60.26 -31.77 70.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -63.87 -33.11 74.95 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.073 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' E' ' 26' ' ' GLN . 86.2 m-20 -66.2 -41.53 90.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.433 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 13.2 mt -63.98 -47.19 81.34 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.62 -37.28 78.2 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.808 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -64.5 -43.48 93.99 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.384 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 31' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 19' ' ' GLU . 8.4 mp -66.11 -44.35 84.6 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -61.05 -45.04 96.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.803 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.11 -43.83 95.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.697 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -62.29 -46.83 86.99 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.07 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -62.09 -43.83 97.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.469 ' HB2' HD13 ' D' ' 37' ' ' LEU . 85.0 m -63.41 -41.82 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.77 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 29.8 mt -63.45 -39.15 93.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.069 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.23 -43.16 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.59 -42.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.2 -39.82 94.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.05 -41.69 99.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.784 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.05 -43.34 98.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.31 -36.78 84.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.8 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.87 -41.29 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 70.7 m -60.74 -36.53 79.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.55 -43.12 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.92 -44.95 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.167 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.2 mmm -63.78 -40.55 96.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.188 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.37 -38.73 92.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.922 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 4' ' ' VAL . 77.2 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -69.82 -15.89 63.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.538 . . . . 0.0 109.79 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.61 -36.78 79.43 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.647 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 1' ' ' MET . 4.5 m -58.53 -28.43 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.553 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.99 -37.74 84.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.857 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -62.35 -49.26 76.26 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.2 mp -60.93 -40.08 91.84 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.285 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 m -59.5 -49.97 75.71 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HA ' HD12 ' A' ' 12' ' ' ILE . 88.6 mtm180 -60.47 -42.23 95.79 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.36 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 p -63.63 -33.03 74.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.729 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.88 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.865 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 9' ' ' ARG . 9.1 mt -63.29 -43.56 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.749 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -64.54 -43.62 93.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.433 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -60.74 -44.82 96.19 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.71 70.46 0.45 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 -64.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.562 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 t -68.58 -31.83 71.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.403 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.85 -5.9 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.019 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 15.4 mt-10 -101.64 -16.21 16.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.723 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -57.94 -43.02 98.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.452 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 20' ' ' MET . 22.7 Cg_exo -58.49 152.28 55.89 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.267 1.978 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.806 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -85.44 16.38 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -54.9 -42.65 72.43 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -51.18 -40.48 58.74 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.924 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.48 -42.89 70.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.001 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.53 -50.81 72.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.153 0.502 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 11.8 mt -63.19 -39.86 95.86 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.786 -0.82 . . . . 2.05 108.786 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.36 -39.42 75.95 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.245 -1.343 . . . . 2.12 108.211 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -64.24 -41.25 97.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.997 -1.001 . . . . 2.53 110.455 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.35 -47.11 71.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.25 -0.58 . . . . 2.43 111.686 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -60.03 -42.58 94.7 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.442 -0.503 . . . . 2.53 111.323 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 HD12 ' A' ' 37' ' ' LEU . 86.2 mt -69.92 -44.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.8 -0.636 . . . . 2.32 110.943 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -62.71 -48.48 79.06 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.275 -0.57 . . . . 2.21 110.357 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -61.26 -42.0 97.88 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.834 -0.346 . . . . 2.46 110.319 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' CB ' HD13 ' E' ' 37' ' ' LEU . 2.8 m -64.91 -41.71 95.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.104 0.478 . . . . 2.45 110.766 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 33' ' ' ILE . 34.5 mt -66.1 -38.97 89.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.514 -0.766 . . . . 2.21 109.735 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 108.204 -1.036 . . . . 2.09 108.204 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.8 -41.93 87.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.271 -0.64 . . . . 2.3 109.271 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 37' ' ' LEU . 26.3 mt -64.15 -43.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.93 -47.83 84.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.485 -0.931 . . . . 2.4 108.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.66 -43.13 97.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.98 -0.378 . . . . 2.23 109.98 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' E' ' 44' ' ' LEU . 17.0 mt -58.88 -43.06 90.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.305 -0.628 . . . . 2.26 109.305 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' B' ' 43' ' ' LEU . 61.6 mt -64.31 -40.65 96.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.746 -0.661 . . . . 2.37 109.607 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.05 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.18 -0.674 . . . . 2.43 109.18 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -60.93 -37.92 83.97 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.61 -0.723 . . . . 2.46 110.064 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.45 -39.79 83.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.515 -0.766 . . . . 2.25 110.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.555 HG23 ' SD ' ' B' ' 50' ' ' MET . 66.4 mt -66.25 -43.12 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.703 0.763 . . . . 2.4 108.984 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.14 -44.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.494 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' E' ' 48' ' ' ILE . 34.1 mtt -63.69 -43.58 96.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.45 -38.95 78.01 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.256 0.551 . . . . 0.0 109.842 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.625 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.575 ' O ' HG22 ' B' ' 4' ' ' VAL . 77.3 mtm . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.26 -15.76 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.657 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.93 -36.21 78.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.575 HG22 ' O ' ' B' ' 1' ' ' MET . 4.4 m -59.07 -28.35 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.36 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.69 -37.59 85.05 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.686 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -63.39 -46.24 87.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.794 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.484 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.1 mp -63.0 -40.63 98.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 74.7 m -60.79 -44.59 96.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' B' ' 12' ' ' ILE . 88.3 mtm180 -65.3 -41.99 93.54 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.969 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -63.78 -33.34 75.46 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.29 88.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.862 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' B' ' 9' ' ' ARG . 9.2 mt -63.66 -43.74 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.753 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.08 -42.67 96.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.112 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.3 71.34 0.32 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.696 -0.802 . . . . 0.0 112.755 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.163 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -68.67 -32.01 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.579 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.54 -6.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.598 ' HA ' ' HB1' ' B' ' 24' ' ' ALA . 15.4 mt-10 -101.13 -16.68 16.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.703 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 0.0 OUTLIER -57.76 -42.93 98.02 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.577 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' B' ' 20' ' ' MET . 22.7 Cg_exo -58.6 152.36 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.13 1.887 . . . . 0.0 112.211 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.73 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.44 16.78 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.151 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' B' ' 19' ' ' GLU . . . -55.26 -42.87 74.06 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -51.03 -40.43 58.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.826 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.53 -42.93 70.57 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.89 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.82 -46.69 89.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.903 0.382 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.68 -39.45 88.13 Favored 'General case' 0 CA--C 1.493 -1.227 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.97 -37.95 75.14 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.649 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -64.79 -43.02 94.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.71 -45.65 81.96 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.072 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.43 HG22 HD12 ' B' ' 37' ' ' LEU . 90.5 mt -65.91 -44.36 92.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.723 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.12 -46.76 85.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.967 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.433 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.5 m -64.94 -43.99 90.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 40' ' ' ILE . 37.8 mt -64.08 -39.2 93.55 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.22 -42.52 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.0 -41.15 95.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' B' ' 37' ' ' LEU . 26.8 mt -64.39 -43.43 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.43 -41.05 98.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.892 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 44' ' ' LEU . 15.5 mt -61.24 -43.13 99.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.459 ' HB2' HD13 ' C' ' 43' ' ' LEU . 61.6 mt -63.84 -40.98 97.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.54 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.2 -44.15 99.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.51 -37.98 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.831 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.403 HG22 HD12 ' B' ' 51' ' ' LEU . 12.7 mt -66.27 -42.52 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.542 HG23 ' SD ' ' C' ' 50' ' ' MET . 67.7 mt -64.16 -42.27 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 CA-C-O 121.529 0.68 . . . . 0.0 109.535 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.15 -44.29 95.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.593 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.555 ' SD ' HG23 ' A' ' 48' ' ' ILE . 34.9 mtt -64.23 -43.35 95.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.758 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.403 HD12 HG22 ' B' ' 47' ' ' ILE . 8.5 mt -69.75 -39.32 76.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.255 0.55 . . . . 0.0 109.627 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.217 -0.61 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.613 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.575 ' O ' HG22 ' C' ' 4' ' ' VAL . 77.3 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -70.2 -16.04 63.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.241 0.543 . . . . 0.0 109.802 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.79 -36.4 78.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.575 HG22 ' O ' ' C' ' 1' ' ' MET . 4.5 m -58.86 -28.26 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.377 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.409 HE21 ' NH2' ' C' ' 9' ' ' ARG . 1.9 pt20 -66.8 -37.33 84.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -63.63 -46.25 86.55 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.242 0.544 . . . . 0.0 109.717 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.497 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.2 mp -63.13 -40.16 96.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 74.2 m -61.18 -44.33 97.47 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.471 ' HA ' HD12 ' C' ' 12' ' ' ILE . 88.3 mtm180 -65.5 -41.87 92.74 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -63.89 -33.36 75.52 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.06 87.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.891 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' C' ' 9' ' ' ARG . 9.4 mt -63.87 -43.53 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.882 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.85 -39.82 91.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -64.17 -42.53 96.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.999 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.48 70.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.747 -0.781 . . . . 0.0 112.894 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.87 -64.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.147 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -68.73 -31.93 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 pt -77.49 -6.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HB1' ' C' ' 24' ' ' ALA . 15.6 mt-10 -101.25 -16.52 16.95 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.731 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.465 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 0.0 OUTLIER -57.72 -43.09 98.5 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.52 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' C' ' 20' ' ' MET . 23.0 Cg_exo -58.31 152.37 53.93 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.141 1.894 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.89 -40.68 91.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -85.38 17.11 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.137 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' C' ' 19' ' ' GLU . . . -55.46 -42.47 74.35 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -51.29 -40.65 59.42 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.83 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -70.48 -42.57 71.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.921 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.8 -46.85 88.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.183 0.516 . . . . 0.0 111.518 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.81 -39.51 87.74 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.87 -37.81 74.6 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.658 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -65.1 -43.07 93.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.58 -45.64 82.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.47 -47.43 86.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.289 -0.564 . . . . 0.0 109.998 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.454 HG22 HD12 ' C' ' 37' ' ' LEU . 92.3 mt -65.83 -44.23 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.729 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.07 -46.72 86.14 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.428 ' CB ' HD13 ' B' ' 37' ' ' LEU . 3.6 m -64.85 -43.87 91.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.164 0.507 . . . . 0.0 110.545 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.454 HD12 HG22 ' C' ' 33' ' ' ILE . 36.6 mt -64.19 -39.26 93.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.15 -42.57 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.93 -41.34 96.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' C' ' 37' ' ' LEU . 26.9 mt -64.38 -43.24 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.798 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.53 -44.79 96.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.09 -40.89 98.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.956 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' B' ' 44' ' ' LEU . 15.6 mt -61.46 -43.1 99.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.454 ' HB2' HD13 ' D' ' 43' ' ' LEU . 62.5 mt -63.94 -40.83 97.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.521 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.38 -44.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.8 -37.74 87.9 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.785 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.39 -42.39 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' D' ' 50' ' ' MET . 67.8 mt -64.23 -42.3 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 121.534 0.683 . . . . 0.0 109.524 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.17 -44.08 95.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.542 ' SD ' HG23 ' B' ' 48' ' ' ILE . 34.2 mtt -64.45 -43.43 94.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.69 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.51 -39.87 77.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.659 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.481 -179.659 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.57 ' O ' HG22 ' D' ' 4' ' ' VAL . 77.2 mtm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -70.07 -16.21 63.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.701 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -36.39 78.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.57 HG22 ' O ' ' D' ' 1' ' ' MET . 4.4 m -58.94 -27.91 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.442 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' GLN . . . . . 0.403 HE21 ' NH2' ' D' ' 9' ' ' ARG . 1.9 pt20 -66.98 -37.44 84.23 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.853 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -63.39 -46.38 86.71 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.772 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.493 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.2 mp -63.04 -40.33 97.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.19 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 75.4 m -60.98 -44.28 97.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' D' ' 12' ' ' ILE . 88.4 mtm180 -65.55 -41.9 92.49 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.864 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.9 p -63.88 -33.54 75.92 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.568 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.19 88.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' D' ' 9' ' ' ARG . 9.4 mt -63.83 -43.92 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.731 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.41 -40.14 93.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.977 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.84 -42.82 97.53 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.134 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.24 70.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.835 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.69 -64.1 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -68.94 -31.83 71.0 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.63 -6.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.994 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' GLU . . . . . 0.585 ' HA ' ' HB1' ' D' ' 24' ' ' ALA . 15.6 mt-10 -101.46 -16.15 16.93 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.716 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 0.0 OUTLIER -58.09 -43.04 98.05 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 114.724 -1.126 . . . . 0.0 112.353 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' D' ' 20' ' ' MET . 22.7 Cg_exo -58.42 152.19 56.0 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.15 1.9 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.69 -40.67 92.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.901 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -85.55 16.94 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.027 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.585 ' HB1' ' HA ' ' D' ' 19' ' ' GLU . . . -55.31 -42.48 73.78 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.654 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -51.3 -40.47 59.07 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.9 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.73 -42.51 70.44 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.981 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.87 -46.66 89.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 111.492 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.07 -39.54 86.86 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.67 -37.74 73.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.631 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.07 -43.22 92.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.43 -45.64 83.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.54 -47.32 86.71 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.451 HG22 HD12 ' D' ' 37' ' ' LEU . 90.7 mt -65.82 -44.41 92.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.638 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.94 -46.77 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.57 -41.69 99.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.962 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.426 ' CB ' HD13 ' C' ' 37' ' ' LEU . 4.1 m -64.75 -43.82 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.451 HD12 HG22 ' D' ' 33' ' ' ILE . 36.9 mt -64.29 -39.29 93.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.917 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.22 -42.45 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.01 -41.29 96.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' D' ' 37' ' ' LEU . 26.6 mt -64.34 -43.34 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.804 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.15 -40.96 99.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.953 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' C' ' 44' ' ' LEU . 15.5 mt -61.44 -42.98 99.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.469 ' HB2' HD13 ' E' ' 43' ' ' LEU . 62.4 mt -64.0 -40.93 97.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.515 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.25 -44.01 99.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.612 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.83 -37.67 87.69 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.704 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.59 -42.37 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.541 HG23 ' SD ' ' E' ' 50' ' ' MET . 67.8 mt -64.13 -42.23 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.487 0.66 . . . . 0.0 109.544 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.19 -44.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.672 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.544 ' SD ' HG23 ' C' ' 48' ' ' ILE . 35.4 mtt -64.18 -43.43 95.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.779 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.73 -39.68 76.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.48 -179.752 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.576 ' O ' HG22 ' E' ' 4' ' ' VAL . 77.4 mtm . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -70.18 -15.82 62.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.0 -36.25 79.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.924 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.576 HG22 ' O ' ' E' ' 1' ' ' MET . 4.5 m -58.91 -28.34 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.409 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.405 HE21 ' NH2' ' E' ' 9' ' ' ARG . 1.8 pt20 -66.47 -37.65 85.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 120.136 -0.626 . . . . 0.0 109.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -63.35 -46.41 86.73 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.237 0.541 . . . . 0.0 109.727 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.479 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.2 mp -63.02 -40.45 97.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.155 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -60.95 -44.52 97.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' E' ' 12' ' ' ILE . 88.3 mtm180 -65.39 -41.79 93.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.849 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.4 p -64.02 -33.27 75.36 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.692 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.25 88.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.832 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' E' ' 9' ' ' ARG . 9.3 mt -63.91 -43.72 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.765 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.64 -39.98 92.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -63.89 -42.69 97.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.347 -0.842 . . . . 0.0 113.114 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.36 71.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.799 -0.76 . . . . 0.0 112.858 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.98 -64.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.292 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -69.18 -31.78 70.64 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.62 -6.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.025 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' GLU . . . . . 0.595 ' HA ' ' HB1' ' E' ' 24' ' ' ALA . 15.5 mt-10 -101.2 -16.49 16.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.72 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.475 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 0.0 OUTLIER -57.98 -42.83 97.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.349 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' E' ' 20' ' ' MET . 22.7 Cg_exo -58.62 152.47 55.59 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.125 1.883 . . . . 0.0 112.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.91 -40.47 91.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.914 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.67 16.66 3.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.199 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' E' ' 19' ' ' GLU . . . -55.02 -42.94 73.23 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.705 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -51.07 -40.54 58.6 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.822 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.41 -42.7 71.3 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.067 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.74 -46.86 88.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.969 0.414 . . . . 0.0 111.413 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.71 -39.62 88.1 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -57.85 -38.05 74.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.915 -1.493 . . . . 0.0 108.551 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.71 -43.14 94.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.894 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.56 -45.88 81.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.42 -47.26 86.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.04 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.44 HG22 HD12 ' E' ' 37' ' ' LEU . 91.8 mt -65.84 -44.33 92.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.794 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.05 -46.62 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.767 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.75 -41.44 99.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.429 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.6 m -64.85 -44.05 91.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.44 HD12 HG22 ' E' ' 33' ' ' ILE . 38.2 mt -64.21 -39.05 93.18 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.29 -42.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.83 -41.27 95.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.7 mt -64.49 -43.3 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.944 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -61.35 -44.63 96.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.3 -41.18 98.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.91 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' D' ' 44' ' ' LEU . 15.6 mt -61.24 -42.94 99.49 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 43' ' ' LEU . 61.2 mt -64.11 -41.02 97.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.418 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.11 -44.12 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.74 -37.78 87.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.819 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.3 -42.37 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.144 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' A' ' 50' ' ' MET . 68.4 mt -64.38 -42.08 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-O 121.468 0.652 . . . . 0.0 109.435 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -43.96 94.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.664 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.541 ' SD ' HG23 ' D' ' 48' ' ' ILE . 34.7 mtt -64.38 -43.57 94.07 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.57 -39.51 77.33 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 109.695 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.557 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' O ' HG12 ' A' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -85.88 -6.0 59.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.619 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 99.1 mttt -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.858 0.837 . . . . 0.0 110.206 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 1' ' ' MET . 8.5 p -61.92 -26.86 41.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.756 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.5 -35.25 80.34 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.455 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 14.1 m-85 -68.03 -43.14 79.44 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.4 mp -62.44 -44.77 95.61 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -59.44 -42.26 91.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.768 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.704 ' HA ' HD12 ' A' ' 12' ' ' ILE . 79.4 ttt180 -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.09 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -63.41 -33.77 76.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.88 90.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.1 mt -63.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.936 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.55 -43.22 89.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -65.12 -39.63 93.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.605 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 18' ' ' ILE . . . -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.753 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -61.75 -42.3 98.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.51 -30.98 59.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.782 0.801 . . . . 0.0 109.127 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -70.17 -23.47 25.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.986 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -118.13 20.94 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.869 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.409 ' CG ' HD22 ' A' ' 27' ' ' ASN . 0.0 OUTLIER -39.65 107.82 0.47 Allowed Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 124.249 0.968 . . . . 0.0 111.003 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.22 -161.39 0.14 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.843 2.362 . . . . 0.0 112.189 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' A' ' 28' ' ' LEU . 89.2 mt-30 -77.61 64.22 2.87 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.9 0.381 . . . . 0.0 110.593 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.98 -39.25 93.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.696 ' HB3' HH12 ' B' ' 25' ' ' ARG . . . -178.64 163.79 1.53 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.388 -1.278 . . . . 0.0 107.561 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.706 HH12 ' HB3' ' E' ' 24' ' ' ALA . 57.9 mtm180 -57.14 -32.35 66.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.343 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.58 -41.42 96.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.409 HD22 ' CG ' ' A' ' 20' ' ' MET . 2.2 t-20 -63.04 -46.68 86.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.324 0.583 . . . . 0.0 109.735 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 22' ' ' GLN . 21.7 mt -64.26 -41.98 96.69 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 108.767 -0.827 . . . . 2.19 108.767 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -57.64 -41.61 81.75 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 113.644 -1.616 . . . . 2.23 108.006 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.37 -42.98 99.84 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.066 -0.97 . . . . 2.36 110.255 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.27 -45.08 81.73 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.244 -0.582 . . . . 2.34 111.22 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.83 -43.93 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.415 -0.514 . . . . 2.48 111.243 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.56 -44.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.189 -0.46 . . . . 2.37 111.359 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -63.0 -48.17 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.193 -0.603 . . . . 2.33 110.224 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.89 -42.4 99.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.957 -0.297 . . . . 2.39 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.586 ' CB ' HD13 ' E' ' 37' ' ' LEU . 14.4 m -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.29 -0.564 . . . . 2.32 109.92 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' B' ' 36' ' ' CYS . 23.3 mt -64.31 -39.23 93.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.542 -0.754 . . . . 2.19 109.604 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.31 -44.83 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.539 -0.911 . . . . 2.22 108.539 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.47 -42.41 96.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.652 -0.419 . . . . 2.31 110.369 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.553 HD11 ' SG ' ' E' ' 41' ' ' CYS . 35.8 mm -63.49 -42.61 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.298 -0.631 . . . . 2.3 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' HD11 ' B' ' 40' ' ' ILE . 83.1 m -59.26 -45.13 92.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.918 -0.771 . . . . 2.35 108.918 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.05 -43.09 99.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.289 -0.414 . . . . 2.23 110.493 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.0 -43.26 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.696 -0.402 . . . . 2.25 110.547 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 44' ' ' LEU . 80.6 mt -64.05 -40.02 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.506 -0.478 . . . . 2.41 109.837 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.05 -43.58 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 108.996 -0.742 . . . . 2.38 108.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.4 m -63.36 -34.9 78.72 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 115.859 -0.61 . . . . 2.33 110.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -39.47 84.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.478 0.656 . . . . 2.28 110.2 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.909 -1.041 . . . . 2.24 109.646 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.98 -48.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.054 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.427 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.4 mmm -62.35 -47.78 82.71 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.129 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.35 -39.24 78.24 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.273 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.221 -0.429 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.619 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.494 ' O ' HG12 ' B' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -86.09 -5.52 59.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 99.0 mttt -65.57 -42.69 91.49 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.716 0.77 . . . . 0.0 110.12 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 1' ' ' MET . 8.6 p -61.98 -26.56 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -65.56 -35.68 81.54 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 13.9 m-85 -67.52 -43.54 80.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.444 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.5 mp -62.94 -42.59 99.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.317 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 82.5 m -61.54 -41.7 97.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.713 ' HA ' HD12 ' B' ' 12' ' ' ILE . 79.7 ttt180 -62.86 -43.08 99.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.95 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -63.25 -33.7 76.06 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.387 0.613 . . . . 0.0 109.438 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.12 87.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.873 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.2 mt -64.53 -41.65 92.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.018 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -58.74 -43.12 90.17 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -65.16 -39.49 93.04 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.711 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.34 73.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.4 t -61.42 -42.39 98.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.38 -30.99 60.33 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.845 0.831 . . . . 0.0 109.228 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -23.85 25.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.249 -1.342 . . . . 0.0 109.954 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.8 20.96 13.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.981 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.407 ' CG ' HD22 ' B' ' 27' ' ' ASN . 0.0 OUTLIER -39.64 107.8 0.46 Allowed Pre-proline 0 N--CA 1.468 0.44 0 O-C-N 124.391 1.057 . . . . 0.0 111.059 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.27 -161.63 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 122.911 2.407 . . . . 0.0 112.083 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.658 ' HA ' HD21 ' B' ' 28' ' ' LEU . 89.2 mt-30 -77.5 64.02 2.75 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.74 -39.08 93.04 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.699 ' HB3' HH12 ' C' ' 25' ' ' ARG . . . -178.77 163.95 1.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.696 HH12 ' HB3' ' A' ' 24' ' ' ALA . 58.0 mtm180 -57.48 -32.14 66.68 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.16 -41.79 97.0 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.407 HD22 ' CG ' ' B' ' 20' ' ' MET . 2.3 t-20 -63.39 -44.62 94.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.339 0.59 . . . . 0.0 110.49 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' B' ' 22' ' ' GLN . 25.1 mt -65.97 -42.27 90.12 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.06 -38.43 76.3 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.673 -1.603 . . . . 0.0 108.75 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.52 -44.09 91.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.478 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.75 -43.76 87.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 28' ' ' LEU . 15.5 m-85 -61.11 -47.52 85.88 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.386 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.75 -44.52 93.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.67 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.57 -47.48 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -63.22 -42.28 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.587 ' CB ' HD13 ' A' ' 37' ' ' LEU . 14.4 m -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.324 -0.551 . . . . 0.0 109.628 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.593 HD13 ' CB ' ' C' ' 36' ' ' CYS . 22.7 mt -62.56 -39.58 94.1 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.884 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.2 -43.44 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.62 -42.19 98.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.053 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.542 HD11 ' SG ' ' A' ' 41' ' ' CYS . 36.1 mm -63.83 -42.91 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' C' ' 40' ' ' ILE . 80.2 m -59.76 -43.77 94.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.405 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 44' ' ' LEU . 81.2 mt -63.81 -40.87 97.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.4 -43.51 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -63.33 -35.5 80.58 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.898 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.44 -42.19 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.78 -42.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.82 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.53 -46.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 81.4 mmm -63.37 -48.07 79.46 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.795 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.6 -39.52 77.21 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.345 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.599 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.494 ' O ' HG12 ' C' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' C' ' 2' ' ' GLU . 0.0 OUTLIER -86.08 -5.92 59.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.659 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 99.0 mttt -65.42 -42.66 92.24 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.547 0.689 . . . . 0.0 110.233 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.494 HG12 ' O ' ' C' ' 1' ' ' MET . 8.6 p -62.01 -26.51 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.77 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -65.56 -35.62 81.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 120.086 -0.645 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 13.8 m-85 -67.84 -43.26 79.93 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.44 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.3 mp -62.91 -42.73 99.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.228 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 81.0 m -61.51 -41.7 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.704 ' HA ' HD12 ' C' ' 12' ' ' ILE . 79.6 ttt180 -62.77 -42.87 99.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.016 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -63.48 -33.82 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.398 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.03 87.68 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.825 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.0 mt -64.63 -41.75 93.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.936 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.5 -43.07 88.93 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.23 -39.62 92.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.6 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ALA . . . . . 0.4 ' HA ' ' HB ' ' C' ' 18' ' ' ILE . . . -58.47 -36.39 73.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -61.47 -42.21 98.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.435 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.32 -31.73 60.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.601 0.715 . . . . 0.0 109.071 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' C' ' 15' ' ' ALA . 0.6 OUTLIER -69.39 -24.09 27.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.153 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -117.55 20.98 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.989 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.406 ' CG ' HD22 ' C' ' 27' ' ' ASN . 0.0 OUTLIER -39.66 107.71 0.46 Allowed Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 124.268 0.98 . . . . 0.0 111.077 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.27 -161.6 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.827 2.351 . . . . 0.0 112.042 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' C' ' 28' ' ' LEU . 89.1 mt-30 -77.42 63.92 2.68 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.682 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.7 -39.15 93.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.709 ' HB3' HH12 ' D' ' 25' ' ' ARG . . . -178.6 163.82 1.55 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.699 HH12 ' HB3' ' B' ' 24' ' ' ALA . 58.2 mtm180 -57.27 -32.12 66.29 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.443 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -64.43 -41.58 96.5 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.442 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.411 ' HB2' HH11 ' D' ' 25' ' ' ARG . 2.2 t-20 -63.57 -44.47 93.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.319 0.581 . . . . 0.0 110.427 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' C' ' 22' ' ' GLN . 25.0 mt -66.0 -42.12 90.17 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.21 -38.68 77.27 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.595 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.19 -44.41 92.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.46 -43.7 89.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.908 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.29 -47.53 85.57 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.244 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.78 -44.4 93.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.712 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.65 -47.26 82.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.408 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.53 -42.14 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.077 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.593 ' CB ' HD13 ' B' ' 37' ' ' LEU . 13.9 m -62.73 -43.88 97.67 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.623 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' D' ' 36' ' ' CYS . 22.8 mt -62.52 -39.49 93.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.895 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.3 -43.46 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.77 -41.96 98.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.064 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 41' ' ' CYS . 36.4 mm -63.94 -42.67 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' D' ' 40' ' ' ILE . 80.7 m -59.87 -43.83 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.82 -41.62 99.39 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.541 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.84 -43.16 99.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 44' ' ' LEU . 80.8 mt -63.73 -40.87 97.81 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.5 -43.45 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.41 -35.4 80.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.856 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.45 -42.11 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.9 -42.55 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.9 t -68.48 -46.02 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.904 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.433 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.9 mmm -63.54 -48.19 78.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.742 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.72 -39.34 76.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.327 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.583 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.484 ' O ' HG12 ' D' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' D' ' 2' ' ' GLU . 0.0 OUTLIER -86.16 -5.92 59.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.6 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 99.1 mttt -65.44 -42.56 92.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.684 0.754 . . . . 0.0 110.322 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.484 HG12 ' O ' ' D' ' 1' ' ' MET . 8.6 p -62.04 -26.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.681 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -35.49 81.02 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 14.0 m-85 -68.02 -42.96 79.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.437 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.4 mp -63.07 -42.63 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.279 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m -61.64 -41.55 97.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.686 ' HA ' HD12 ' D' ' 12' ' ' ILE . 79.6 ttt180 -62.92 -43.08 99.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.026 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -63.23 -33.66 75.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.525 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.11 87.61 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.7 mt -64.58 -41.77 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.915 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -58.42 -43.3 88.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.11 -39.32 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.624 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.38 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.43 -42.41 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.51 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.411 HG23 ' H ' ' D' ' 17' ' ' THR . 1.2 p -75.35 -31.43 60.55 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -23.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.104 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -117.72 21.08 13.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.403 ' CG ' HD22 ' D' ' 27' ' ' ASN . 0.0 OUTLIER -39.61 107.94 0.47 Allowed Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 124.281 0.988 . . . . 0.0 111.071 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.26 -161.28 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.728 2.285 . . . . 0.0 112.236 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' GLN . . . . . 0.652 ' HA ' HD21 ' D' ' 28' ' ' LEU . 89.2 mt-30 -77.84 64.06 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.665 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.75 -39.22 93.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.707 ' HB3' HH12 ' E' ' 25' ' ' ARG . . . -178.56 163.88 1.57 Allowed 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.709 HH12 ' HB3' ' C' ' 24' ' ' ALA . 58.2 mtm180 -57.39 -31.93 66.31 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.489 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.52 -41.66 96.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.403 HD22 ' CG ' ' D' ' 20' ' ' MET . 2.2 t-20 -63.42 -44.39 94.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.284 0.564 . . . . 0.0 110.501 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.652 HD21 ' HA ' ' D' ' 22' ' ' GLN . 23.6 mt -66.07 -42.35 89.55 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.2 -38.29 76.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.701 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.3 -44.35 91.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.493 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.55 -43.83 88.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.734 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.25 -47.53 85.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.369 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.2 mt -65.66 -44.52 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.66 -47.4 81.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.47 -42.05 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.08 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.584 ' CB ' HD13 ' C' ' 37' ' ' LEU . 13.4 m -62.58 -44.13 97.09 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.546 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.59 HD13 ' CB ' ' E' ' 36' ' ' CYS . 23.6 mt -62.49 -39.28 92.95 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.822 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.47 -43.57 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.972 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.56 HD11 ' SG ' ' C' ' 41' ' ' CYS . 36.1 mm -63.87 -42.86 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' E' ' 40' ' ' ILE . 83.0 m -59.72 -44.24 93.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.54 -41.63 99.01 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.74 -43.38 98.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' D' ' 44' ' ' LEU . 80.9 mt -63.83 -40.84 97.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.41 -43.42 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.48 -35.45 80.5 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.925 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.31 -42.24 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.682 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.31 -46.22 81.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.963 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.431 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.6 mmm -63.46 -48.2 78.68 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.658 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.65 -39.2 77.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.387 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.467 ' O ' HG12 ' E' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 2' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' E' ' 2' ' ' GLU . 0.0 OUTLIER -85.93 -5.94 59.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.64 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 3' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 99.1 mttt -65.49 -42.59 92.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.579 0.704 . . . . 0.0 110.262 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.467 HG12 ' O ' ' E' ' 1' ' ' MET . 8.7 p -62.04 -26.55 40.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.688 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -35.66 81.58 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.382 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 14.0 m-85 -67.74 -43.4 80.04 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.443 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.4 mp -63.03 -42.58 99.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 82.3 m -61.6 -41.58 97.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.689 ' HA ' HD12 ' E' ' 12' ' ' ILE . 79.7 ttt180 -62.72 -42.92 99.89 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.083 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -63.7 -33.6 75.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.92 86.87 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.7 mt -64.7 -41.68 92.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.946 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -58.62 -43.1 89.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.16 -39.16 92.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.675 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.26 74.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -61.59 -42.22 98.55 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 123.52 0.512 . . . . 0.0 110.611 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.4 -31.16 60.34 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.614 0.721 . . . . 0.0 109.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -23.85 25.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.101 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.86 21.01 13.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.776 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.408 ' CG ' HD22 ' E' ' 27' ' ' ASN . 0.0 OUTLIER -39.69 107.78 0.47 Allowed Pre-proline 0 N--CA 1.466 0.361 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.24 -161.82 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.987 2.458 . . . . 0.0 112.17 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' GLN . . . . . 0.666 ' HA ' HD21 ' E' ' 28' ' ' LEU . 89.1 mt-30 -77.24 64.06 2.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.883 0.373 . . . . 0.0 110.67 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.93 -39.08 92.96 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.706 ' HB3' HH12 ' A' ' 25' ' ' ARG . . . -178.73 163.93 1.51 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.707 HH12 ' HB3' ' D' ' 24' ' ' ALA . 58.4 mtm180 -57.44 -32.07 66.55 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.4 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.42 -41.74 96.44 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.408 HD22 ' CG ' ' E' ' 20' ' ' MET . 2.2 t-20 -63.45 -44.19 95.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.474 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.666 HD21 ' HA ' ' E' ' 22' ' ' GLN . 24.5 mt -66.35 -42.14 88.53 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.15 -38.66 77.02 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.561 -1.654 . . . . 0.0 108.623 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.22 -44.32 92.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.618 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.49 -43.89 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.665 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -60.98 -47.61 85.65 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.411 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.68 -44.56 93.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.747 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.55 -47.49 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.327 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -63.44 -41.9 98.66 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.184 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.59 ' CB ' HD13 ' D' ' 37' ' ' LEU . 12.6 m -62.85 -43.86 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.596 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.586 HD13 ' CB ' ' A' ' 36' ' ' CYS . 23.4 mt -62.4 -39.72 94.18 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.776 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.07 -43.46 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.63 -42.28 98.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.985 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.562 HD11 ' SG ' ' D' ' 41' ' ' CYS . 36.9 mm -63.8 -42.75 96.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 40' ' ' ILE . 79.6 m -59.73 -44.0 93.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.71 -41.62 99.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.469 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.87 -43.13 99.61 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.426 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' E' ' 44' ' ' LEU . 80.5 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.36 -43.25 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.68 -35.39 80.38 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.944 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.45 -42.34 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.7 -42.59 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.645 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.59 -46.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.893 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.442 ' HB3' HD13 ' D' ' 52' ' ' LEU . 81.4 mmm -63.62 -48.07 78.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.582 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.56 -39.45 77.39 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.475 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.487 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.682 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.47 -51.82 5.51 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.51 -42.36 87.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.464 0.649 . . . . 0.0 110.67 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m -61.47 -26.27 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.242 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -64.46 -39.84 94.57 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.051 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.431 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 73.4 m-85 -64.54 -40.4 95.52 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.909 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -63.35 -41.43 98.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.7 m -61.88 -42.95 99.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -63.07 -38.12 89.93 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.391 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -62.37 -30.32 71.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -68.21 -39.97 82.27 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.26 -42.64 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.876 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -60.09 -44.51 94.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.935 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.31 -42.48 88.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.659 0.742 . . . . 0.0 109.099 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 18' ' ' ILE . . . -61.95 -30.44 70.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.52 -37.22 86.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.555 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.98 -40.84 62.69 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.94 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.504 ' HA ' HD21 ' A' ' 31' ' ' LEU . 40.1 pt -74.99 -12.88 15.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.406 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.7 -7.92 15.51 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.75 128.31 92.64 Favored Pre-proline 0 C--O 1.234 0.281 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.782 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 23' ' ' GLN . 74.9 Cg_endo -77.24 -154.83 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.446 2.097 . . . . 0.0 111.384 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -74.15 23.18 0.08 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.353 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 21' ' ' PRO . 58.9 tt0 -59.35 -36.91 76.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.67 123.31 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -55.42 -31.53 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.868 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -61.1 -41.57 96.92 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.494 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.22 -44.72 91.03 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 22.6 mt -61.56 -43.69 98.4 Favored 'General case' 0 CA--C 1.497 -1.059 0 N-CA-C 108.552 -0.907 . . . . 1.96 108.552 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG2' HD12 ' A' ' 33' ' ' ILE . 56.5 tt0 -58.76 -39.46 81.04 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 113.501 -1.681 . . . . 2.15 109.07 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -64.35 -40.98 96.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.791 -1.095 . . . . 2.61 110.415 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' A' ' 18' ' ' ILE . 8.1 mp -69.91 -48.1 59.88 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 120.204 -0.598 . . . . 2.44 111.367 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -59.39 -42.48 91.82 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.607 -0.437 . . . . 2.51 111.912 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' A' ' 29' ' ' GLN . 79.2 mt -70.1 -44.73 77.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.738 -0.665 . . . . 2.33 110.793 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.41 -46.57 87.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.064 -0.654 . . . . 2.19 110.215 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.25 -43.26 99.24 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.908 -0.317 . . . . 2.46 110.209 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' CB ' HD13 ' E' ' 37' ' ' LEU . 10.9 m -63.68 -39.98 95.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.038 0.446 . . . . 2.53 110.193 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' CB ' ' B' ' 36' ' ' CYS . 32.0 mt -66.12 -37.97 87.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.228 -0.896 . . . . 2.09 109.886 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.34 -44.81 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 N-CA-C 108.588 -0.893 . . . . 2.03 108.588 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.23 -41.55 84.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.383 -0.599 . . . . 2.41 109.383 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 37' ' ' LEU . 25.9 mt -63.58 -43.56 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.919 -0.4 . . . . 2.34 109.919 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.7 m -61.12 -46.48 90.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.002 -0.74 . . . . 2.33 109.002 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.94 -42.42 98.16 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.558 -0.534 . . . . 2.3 109.558 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' E' ' 44' ' ' LEU . 10.3 mt -60.71 -42.17 96.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.255 -0.646 . . . . 2.2 109.255 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' HB2' HD13 ' B' ' 43' ' ' LEU . 14.0 mt -63.85 -40.6 96.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.888 -0.412 . . . . 2.38 109.888 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.74 -43.74 96.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.306 0.574 . . . . 2.53 109.569 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -65.36 -34.55 78.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.496 -0.775 . . . . 2.34 110.124 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.39 -40.89 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 2.34 109.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.74 -40.19 87.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 114.956 -1.02 . . . . 2.42 108.946 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.55 -44.05 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.1 mmm -65.33 -40.55 93.83 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.5 mt -64.46 -41.18 96.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.94 -51.56 5.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.84 -42.44 85.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.528 0.68 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.51 -26.18 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.194 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 1.0 OUTLIER -64.54 -39.62 94.1 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.755 -0.778 . . . . 0.0 108.984 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 74.3 m-85 -64.58 -40.67 95.95 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.952 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.9 mp -63.06 -41.15 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 19.9 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.87 -38.45 90.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.369 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -61.92 -30.76 71.11 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 8' ' ' THR . . . -67.81 -40.22 83.89 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -42.87 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.98 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -59.84 -44.47 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.942 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -66.0 -43.16 88.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.675 0.75 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' B' ' 18' ' ' ILE . . . -61.41 -30.37 70.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.77 -37.26 87.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.38 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -40.92 63.24 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.036 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.519 ' HA ' HD21 ' B' ' 31' ' ' LEU . 40.2 pt -75.2 -12.46 14.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.22 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.99 -7.95 15.29 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.185 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.6 127.9 91.99 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.847 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' B' ' 23' ' ' GLN . 71.5 Cg_endo -76.93 -154.89 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.645 2.23 . . . . 0.0 111.152 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.16 23.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 21' ' ' PRO . 58.8 tt0 -58.59 -37.41 75.75 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.76 125.77 15.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.476 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 -58.31 -31.03 67.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.968 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.89 -42.5 93.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.338 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.13 -43.47 95.16 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 122.356 1.074 . . . . 0.0 108.276 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.039 -1.891 . . . . 0.0 109.265 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -63.95 -44.81 91.68 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.799 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 18' ' ' ILE . 8.1 mp -67.19 -45.42 76.99 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.345 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.91 -47.07 88.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.292 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.36 -44.3 90.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.705 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -63.25 -46.28 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.423 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.54 ' CB ' HD13 ' A' ' 37' ' ' LEU . 8.5 m -64.13 -41.88 97.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.047 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' C' ' 36' ' ' CYS . 32.7 mt -64.33 -38.58 91.56 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.37 -43.14 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.98 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.6 mt -63.87 -43.58 97.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.307 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.22 -41.34 99.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 44' ' ' LEU . 9.6 mt -62.2 -42.08 98.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.279 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.7 mt -63.62 -41.04 98.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.015 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.26 -44.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.81 -34.3 78.03 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.043 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.06 -41.82 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.82 -44.5 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.69 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.3 mmm -64.16 -41.81 97.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.394 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' B' ' 52' ' ' LEU . 10.8 mt -64.5 -41.03 96.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' B' ' 51' ' ' LEU . 3.7 mp . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.14 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.56 -51.65 5.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.573 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.73 -42.58 86.04 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.631 0.729 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.31 -26.26 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.252 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 1.0 OUTLIER -64.39 -39.38 93.76 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.149 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.428 ' N ' ' HG2' ' C' ' 5' ' ' GLN . 73.4 m-85 -64.8 -40.79 95.79 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.442 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.9 mp -62.99 -41.18 99.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' C' ' 11' ' ' ALA . 19.8 m -62.27 -42.93 99.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.06 -38.33 90.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.364 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -61.97 -30.61 71.04 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' C' ' 8' ' ' THR . . . -67.94 -40.52 83.27 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.77 -42.69 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.962 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -60.04 -44.63 94.52 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -65.95 -43.1 88.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.675 0.75 . . . . 0.0 109.116 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' C' ' 18' ' ' ILE . . . -61.53 -30.17 70.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.75 -37.34 87.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.347 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.402 HG23 ' H ' ' C' ' 17' ' ' THR . 0.9 OUTLIER -73.71 -40.79 63.33 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.013 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.516 ' HA ' HD21 ' C' ' 31' ' ' LEU . 41.2 pt -75.16 -12.78 15.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.37 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.57 -8.0 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.276 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.76 128.17 92.47 Favored Pre-proline 0 N--CA 1.455 -0.199 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.825 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' C' ' 23' ' ' GLN . 73.1 Cg_endo -76.99 -154.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.741 2.294 . . . . 0.0 111.36 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.19 23.25 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.359 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' C' ' 21' ' ' PRO . 58.5 tt0 -58.68 -37.63 76.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.127 0.489 . . . . 0.0 109.696 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.35 125.91 15.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.398 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -58.57 -30.76 67.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.12 -42.35 94.6 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.365 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.62 -41.08 96.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.23 -43.78 93.88 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HG2' HD12 ' C' ' 33' ' ' ILE . 56.1 tt0 -59.31 -38.27 79.86 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.184 -1.826 . . . . 0.0 109.316 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -64.05 -44.67 91.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' C' ' 18' ' ' ILE . 8.2 mp -67.21 -45.16 77.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.279 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.86 -47.48 86.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.376 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' C' ' 29' ' ' GLN . 84.5 mt -66.29 -44.32 91.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.79 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.06 -46.28 88.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.33 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.17 -42.8 99.61 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.992 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.549 ' CB ' HD13 ' B' ' 37' ' ' LEU . 9.0 m -64.09 -41.79 97.16 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.998 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.0 mt -64.31 -38.29 90.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.02 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.55 -43.01 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.19 -40.8 91.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' C' ' 37' ' ' LEU . 25.3 mt -63.91 -43.66 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.116 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 92.2 m -62.04 -43.49 98.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' B' ' 44' ' ' LEU . 10.0 mt -62.09 -41.98 98.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.174 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.9 mt -63.64 -41.16 98.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.21 -44.24 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -64.88 -34.38 78.26 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.963 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.04 -43.39 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.24 -41.53 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.84 -44.47 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.597 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmm -64.31 -41.37 96.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' C' ' 52' ' ' LEU . 10.8 mt -64.6 -40.71 96.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' C' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.216 -0.667 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.67 -51.69 5.54 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.516 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.6 -42.53 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.5 0.667 . . . . 0.0 110.711 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.34 -26.36 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.168 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 1.0 OUTLIER -64.45 -39.25 93.46 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.145 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 73.5 m-85 -64.77 -40.72 95.75 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.44 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.8 mp -63.1 -41.36 99.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' D' ' 11' ' ' ALA . 19.6 m -62.16 -43.06 99.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.94 -38.39 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.467 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -62.0 -30.77 71.18 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.456 0.646 . . . . 0.0 109.275 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' D' ' 8' ' ' THR . . . -67.81 -40.32 83.88 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.95 -42.96 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.984 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -59.71 -44.51 93.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.01 -43.01 88.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.099 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' D' ' 18' ' ' ILE . . . -61.61 -30.23 70.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.54 -37.61 88.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.44 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.447 ' H ' HG23 ' D' ' 17' ' ' THR . 0.9 OUTLIER -73.54 -40.97 63.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.095 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.506 ' HA ' HD21 ' D' ' 31' ' ' LEU . 40.5 pt -74.86 -12.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.231 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.7 -7.74 15.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.354 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 128.35 92.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.94 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' D' ' 23' ' ' GLN . 71.7 Cg_endo -77.12 -154.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.525 2.15 . . . . 0.0 111.426 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.37 23.64 0.09 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' D' ' 21' ' ' PRO . 58.7 tt0 -59.11 -37.43 77.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.57 125.91 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.527 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -58.46 -31.19 67.57 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.86 -42.53 93.87 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -64.61 -40.65 95.88 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.599 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.4 -43.89 93.01 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.408 ' HG2' HD12 ' D' ' 33' ' ' ILE . 6.8 tt0 -59.13 -38.26 79.2 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.085 -1.871 . . . . 0.0 109.264 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.14 -44.76 91.17 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.637 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' D' ' 18' ' ' ILE . 8.1 mp -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.33 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.76 -47.5 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.281 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' D' ' 29' ' ' GLN . 85.4 mt -65.98 -44.4 92.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.834 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.04 -46.34 88.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.33 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' C' ' 37' ' ' LEU . 8.9 m -64.2 -41.85 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.049 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.55 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.3 mt -64.3 -38.4 90.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.52 -42.99 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' D' ' 37' ' ' LEU . 25.4 mt -63.79 -43.61 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.183 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.94 -43.61 98.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.32 -41.59 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 44' ' ' LEU . 9.9 mt -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.238 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.455 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.8 mt -63.66 -41.1 98.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.902 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.29 -44.52 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.34 -34.63 78.59 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.238 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -63.82 -43.69 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.77 -41.74 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.74 -44.4 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.674 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 38.7 mmm -64.45 -41.41 96.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' D' ' 52' ' ' LEU . 10.9 mt -64.57 -40.84 96.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' D' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.938 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.85 -51.56 5.57 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.64 -42.55 86.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.482 0.658 . . . . 0.0 110.644 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.48 -26.19 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.191 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 1.0 OUTLIER -64.49 -39.41 93.75 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.428 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 74.0 m-85 -64.83 -40.47 95.24 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.9 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.9 mp -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' E' ' 11' ' ' ALA . 20.0 m -62.0 -43.28 99.17 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -62.62 -38.51 90.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.511 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -61.77 -30.8 71.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' E' ' 8' ' ' THR . . . -67.73 -40.64 84.16 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mm -66.87 -42.69 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.986 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -59.85 -44.67 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.843 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -65.92 -42.88 89.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.656 0.741 . . . . 0.0 109.236 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' E' ' 18' ' ' ILE . . . -61.82 -30.24 70.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.824 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.55 -37.24 86.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.4 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -40.99 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.97 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.525 ' HA ' HD21 ' E' ' 31' ' ' LEU . 40.1 pt -75.07 -12.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.353 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.9 -8.49 15.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.304 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.16 127.94 91.65 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 119.964 -0.695 . . . . 0.0 109.947 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' E' ' 23' ' ' GLN . 71.5 Cg_endo -77.09 -154.83 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.602 2.201 . . . . 0.0 111.187 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -74.36 23.58 0.09 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' E' ' 21' ' ' PRO . 58.9 tt0 -59.01 -37.52 77.1 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.54 125.8 15.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.525 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -58.45 -30.84 67.25 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.026 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.04 -42.39 94.34 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.309 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.76 -40.87 96.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.14 0.495 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 mt -64.25 -43.74 93.95 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' E' ' 33' ' ' ILE . 6.7 tt0 -59.23 -38.24 79.5 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.2 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.0 -44.84 91.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.877 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' E' ' 18' ' ' ILE . 8.1 mp -67.15 -45.23 77.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.33 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.12 -47.03 88.14 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.383 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' E' ' 29' ' ' GLN . 85.2 mt -66.44 -44.43 90.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.687 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.33 -46.01 88.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.418 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -62.16 -42.79 99.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.544 ' CB ' HD13 ' D' ' 37' ' ' LEU . 8.2 m -64.18 -41.95 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.983 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.8 mt -64.19 -38.44 91.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.069 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.43 -42.9 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.9 -40.85 90.18 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.0 mt -63.99 -43.68 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.243 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.0 -43.73 98.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.897 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.26 -41.4 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' D' ' 44' ' ' LEU . 9.9 mt -61.98 -42.13 98.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.293 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 43' ' ' LEU . 14.0 mt -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.08 -44.49 97.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.72 -34.24 77.86 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.092 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.14 -43.26 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.18 -41.75 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.066 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.96 -44.28 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.576 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 37.6 mmm -64.57 -41.32 96.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' E' ' 52' ' ' LEU . 10.8 mt -64.53 -41.05 96.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' E' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.642 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.045 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.401 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 98.8 mttt -110.88 -25.1 10.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.754 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.18 -24.84 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.35 -39.62 93.71 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.904 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 26.4 m-85 -67.83 -40.8 83.71 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.7 mp -61.92 -40.32 95.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.9 m -60.37 -48.39 81.96 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -58.69 -39.19 79.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.061 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' HB2' HH12 ' A' ' 14' ' ' ARG . 16.1 m -60.5 -34.13 73.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.33 89.72 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 16' ' ' SER . 32.2 mm -63.07 -42.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -63.54 -40.15 96.27 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.744 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' O ' HD11 ' A' ' 18' ' ' ILE . 82.9 mtt85 -59.18 -46.24 88.93 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.98 72.79 0.09 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.652 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.51 ' HB3' HG23 ' A' ' 12' ' ' ILE . 1.3 t -157.21 -27.15 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.502 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 t -128.46 -14.99 4.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.694 0.283 . . . . 0.0 111.35 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.629 HD12 HD23 ' A' ' 28' ' ' LEU . 20.4 pt -83.81 4.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.942 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.27 10.27 39.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.732 0.301 . . . . 0.0 110.771 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -59.82 152.43 58.79 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -75.5 21.03 0.48 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.737 2.291 . . . . 0.0 112.755 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -112.58 -135.12 0.35 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -73.27 0.49 11.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.04 0.448 . . . . 0.0 110.052 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -59.53 -28.97 67.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.699 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -55.25 -35.67 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 109.379 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.92 -36.4 84.24 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.733 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.13 -44.0 93.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD23 HD12 ' A' ' 18' ' ' ILE . 21.9 mt -59.44 -43.48 93.12 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-O 121.969 0.89 . . . . 1.88 108.874 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.453 ' HG2' HD12 ' A' ' 33' ' ' ILE . 8.4 tt0 -60.44 -38.51 84.38 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.451 -1.704 . . . . 2.56 108.612 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -65.2 -42.13 93.86 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.822 -1.081 . . . . 2.36 110.64 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -49.34 70.59 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.838 -0.745 . . . . 2.3 111.893 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 7.4 t80 -57.8 -52.32 65.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.549 -0.86 . . . . 2.67 109.704 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.453 HD12 ' HG2' ' A' ' 29' ' ' GLN . 84.0 mt -61.93 -45.51 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.574 -0.45 . . . . 2.26 111.49 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -59.02 -52.15 66.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.041 -0.664 . . . . 2.27 109.827 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -57.52 -43.69 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.776 -0.369 . . . . 2.65 110.919 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.57 ' HB3' HD22 ' E' ' 37' ' ' LEU . 95.1 m -66.29 -36.51 83.14 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.291 -0.563 . . . . 2.12 111.175 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' B' ' 36' ' ' CYS . 24.4 mt -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 2.04 109.397 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.81 -43.79 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 N-CA-C 109.166 -0.679 . . . . 2.5 109.166 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.74 -41.74 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.531 -0.304 . . . . 2.35 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.13 -42.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.227 -0.657 . . . . 2.24 109.227 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.13 -43.02 99.52 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.774 -0.824 . . . . 2.31 108.774 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.85 -42.1 99.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.914 -0.402 . . . . 2.18 109.914 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.34 -43.17 92.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.146 -0.687 . . . . 2.36 109.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.21 -38.83 92.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 2.42 109.663 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.97 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.271 -0.64 . . . . 2.24 109.271 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.99 -38.68 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.401 -0.592 . . . . 2.31 109.401 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.71 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.736 -0.665 . . . . 2.38 109.563 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.537 HG23 ' SD ' ' B' ' 50' ' ' MET . 78.8 mt -64.54 -44.12 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 115.554 -0.748 . . . . 2.53 109.163 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.9 -44.49 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.547 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HG23 ' E' ' 48' ' ' ILE . 43.2 mtt -63.9 -39.01 93.19 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.09 -38.89 92.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.904 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.24 -27.33 67.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.453 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 98.8 mttt -111.26 -23.6 10.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.842 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.43 -24.97 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.08 -39.61 93.03 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.925 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 26.8 m-85 -67.93 -40.53 83.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.368 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.465 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.7 mp -62.12 -40.12 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -61.52 -44.59 96.78 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.73 -39.57 92.01 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.523 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.409 ' HB2' HH12 ' B' ' 14' ' ' ARG . 16.0 m -60.36 -34.38 73.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.734 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.07 89.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' B' ' 16' ' ' SER . 31.6 mm -63.1 -42.57 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -64.46 -37.25 86.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.425 ' O ' HD11 ' B' ' 18' ' ' ILE . 82.7 mtt85 -61.43 -45.9 92.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.78 73.69 0.08 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.339 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.509 ' HB3' HG23 ' B' ' 12' ' ' ILE . 1.3 t -158.05 -27.58 0.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.342 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -128.09 -15.17 4.8 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.615 HD12 HD23 ' B' ' 28' ' ' LEU . 20.2 pt -83.6 4.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.11 10.15 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.763 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.545 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -59.62 152.31 57.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.647 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -75.41 20.9 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.795 2.33 . . . . 0.0 112.661 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -112.52 -135.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -73.44 0.68 11.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 110.035 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' B' ' 20' ' ' MET . . . -60.5 -26.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.076 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.32 -39.81 95.59 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.209 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.79 -39.34 93.93 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.615 HD23 HD12 ' B' ' 18' ' ' ILE . 24.9 mt -63.14 -43.44 98.36 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.452 ' HG2' HD12 ' B' ' 33' ' ' ILE . 8.5 tt0 -60.47 -38.79 85.38 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 113.191 -1.822 . . . . 0.0 108.726 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-20 -64.95 -43.02 94.05 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.5 -46.75 81.6 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.633 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.438 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 7.9 t80 -61.38 -48.98 78.8 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.331 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.452 HD12 ' HG2' ' B' ' 29' ' ' GLN . 81.8 mt -64.37 -44.29 97.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.465 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.03 -48.55 81.27 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.396 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.388 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.1 m -65.95 -37.48 86.12 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.203 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' C' ' 36' ' ' CYS . 24.7 mt -60.59 -41.99 95.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' B' ' 38' ' ' ILE . 29.9 mm -64.02 -43.34 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.55 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.06 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.81 -41.77 98.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.212 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.65 -40.42 96.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.077 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.32 -42.95 99.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.58 -38.77 92.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.592 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -42.62 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.21 -38.63 87.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.39 -42.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 ' SD ' ' C' ' 50' ' ' MET . 79.8 mt -63.8 -42.69 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.678 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.3 -44.45 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.537 ' SD ' HG23 ' A' ' 48' ' ' ILE . 43.6 mtt -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.07 -38.78 92.29 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.66 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.959 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.26 -27.24 67.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 98.8 mttt -111.43 -23.53 10.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.735 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.33 -25.0 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.14 -39.7 93.47 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.949 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 26.5 m-85 -67.7 -40.56 84.32 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.387 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.464 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.7 mp -62.11 -40.13 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.3 m -61.54 -44.55 96.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.88 -39.31 91.48 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.621 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' SER . . . . . 0.417 ' HB2' HH12 ' C' ' 14' ' ' ARG . 16.0 m -60.61 -34.24 73.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.741 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.07 89.28 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' C' ' 16' ' ' SER . 31.4 mm -63.07 -42.54 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.283 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -64.48 -37.14 86.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.42 ' O ' HD11 ' C' ' 18' ' ' ILE . 82.7 mtt85 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.96 73.77 0.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.301 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' SER . . . . . 0.508 ' HB3' HG23 ' C' ' 12' ' ' ILE . 1.3 t -158.1 -27.64 0.08 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.3 t -128.02 -15.18 4.84 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.653 0.263 . . . . 0.0 111.357 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.605 HD12 HD23 ' C' ' 28' ' ' LEU . 20.6 pt -83.74 4.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.54 10.3 38.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.738 0.304 . . . . 0.0 110.815 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.549 ' O ' ' HB3' ' C' ' 24' ' ' ALA . 0.0 OUTLIER -59.76 152.37 58.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.28 20.79 0.47 Allowed 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.775 2.317 . . . . 0.0 112.716 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -112.42 -135.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -73.49 0.75 11.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.109 0.481 . . . . 0.0 109.964 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' C' ' 20' ' ' MET . . . -60.55 -26.91 67.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -57.1 -35.56 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.44 -39.76 95.34 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.144 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.605 HD23 HD12 ' C' ' 18' ' ' ILE . 25.9 mt -63.29 -43.4 97.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' C' ' 33' ' ' ILE . 8.4 tt0 -60.51 -38.58 84.82 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.182 -1.827 . . . . 0.0 108.786 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -65.07 -43.06 93.47 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.62 -46.71 81.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.61 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.441 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 7.9 t80 -61.29 -48.9 79.28 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.377 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.466 HD12 ' HG2' ' C' ' 29' ' ' GLN . 81.4 mt -64.46 -44.32 96.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.482 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -61.08 -48.51 81.35 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.0 -43.6 98.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.361 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.557 ' HB3' HD22 ' B' ' 37' ' ' LEU . 95.5 m -65.73 -37.55 86.71 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.244 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' D' ' 36' ' ' CYS . 24.9 mt -60.6 -42.0 95.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.02 -43.41 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.615 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.09 -43.02 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.58 -41.89 98.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.159 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.59 -40.4 96.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.061 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.49 -42.87 99.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.657 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -42.63 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.15 -38.81 87.75 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.19 -42.81 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.359 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.515 HG23 ' SD ' ' D' ' 50' ' ' MET . 80.3 mt -63.86 -42.54 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.687 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.37 -44.44 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.517 ' SD ' HG23 ' B' ' 48' ' ' ILE . 43.3 mtt -63.93 -39.02 93.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.15 -38.96 92.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.921 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.3 -27.29 67.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.452 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 98.8 mttt -111.31 -23.65 10.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.81 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.24 -24.96 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.11 -39.8 93.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.93 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 26.7 m-85 -67.68 -40.47 84.41 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.361 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.469 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.7 mp -62.21 -40.14 95.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -61.59 -44.6 96.7 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.85 -39.31 91.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.591 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' SER . . . . . 0.41 ' HB2' HH12 ' D' ' 14' ' ' ARG . 16.1 m -60.52 -34.27 73.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.715 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.0 88.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.496 HG23 ' HB3' ' D' ' 16' ' ' SER . 31.4 mm -63.14 -42.6 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -64.49 -37.15 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.261 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.424 ' O ' HD11 ' D' ' 18' ' ' ILE . 82.7 mtt85 -61.41 -45.83 92.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.92 73.54 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.316 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.496 ' HB3' HG23 ' D' ' 12' ' ' ILE . 1.3 t -157.81 -27.73 0.08 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.335 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -127.91 -15.21 4.89 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.639 0.256 . . . . 0.0 111.294 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.623 HD12 HD23 ' D' ' 28' ' ' LEU . 20.6 pt -83.59 4.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.35 10.06 39.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.561 ' O ' ' HB3' ' D' ' 24' ' ' ALA . 0.0 OUTLIER -59.53 152.22 56.88 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.27 20.9 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.828 2.352 . . . . 0.0 112.697 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -112.46 -134.98 0.35 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -73.53 0.69 11.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.055 0.455 . . . . 0.0 110.021 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' D' ' 20' ' ' MET . . . -60.33 -27.24 67.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -56.83 -35.8 69.23 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -63.28 -39.69 95.28 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.218 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.01 -39.24 94.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.623 HD23 HD12 ' D' ' 18' ' ' ILE . 25.3 mt -63.15 -43.46 98.26 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' D' ' 33' ' ' ILE . 8.4 tt0 -60.52 -38.77 85.49 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.127 -1.851 . . . . 0.0 108.666 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 -65.04 -43.04 93.68 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.48 -46.75 81.7 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.616 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.445 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 7.8 t80 -61.3 -48.89 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.357 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' D' ' 29' ' ' GLN . 81.2 mt -64.51 -44.23 96.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -61.09 -48.52 81.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.409 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.06 -43.51 98.78 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' C' ' 37' ' ' LEU . 94.1 m -65.77 -37.57 86.68 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' E' ' 36' ' ' CYS . 24.8 mt -60.63 -42.01 96.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.08 -43.32 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.09 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.53 -41.85 97.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.238 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.66 -40.39 96.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.083 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.4 -43.04 99.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.46 -38.85 92.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.685 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.99 -42.66 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.1 -38.75 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.4 -42.61 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.516 HG23 ' SD ' ' E' ' 50' ' ' MET . 80.3 mt -63.87 -42.61 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.694 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.3 -44.47 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.37 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.515 ' SD ' HG23 ' C' ' 48' ' ' ILE . 43.6 mtt -63.82 -39.19 93.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.15 -38.86 92.59 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.27 -27.52 67.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 98.8 mttt -111.06 -23.66 10.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -59.33 -24.98 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.06 -39.68 93.24 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.96 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 26.5 m-85 -67.74 -40.57 84.13 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.359 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.457 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.6 mp -62.04 -40.19 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -61.61 -44.55 96.78 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.87 -39.4 91.8 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.523 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' SER . . . . . 0.414 ' HB2' HH12 ' E' ' 14' ' ' ARG . 16.0 m -60.39 -34.28 73.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.709 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.04 88.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' E' ' 16' ' ' SER . 31.3 mm -63.14 -42.42 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -64.48 -37.31 87.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.431 ' O ' HD11 ' E' ' 18' ' ' ILE . 82.7 mtt85 -61.38 -46.01 91.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.82 73.64 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.292 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 16' ' ' SER . . . . . 0.512 ' HB3' HG23 ' E' ' 12' ' ' ILE . 1.3 t -157.87 -27.7 0.08 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.339 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -127.99 -15.03 4.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.604 0.24 . . . . 0.0 111.351 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.615 HD12 HD23 ' E' ' 28' ' ' LEU . 20.4 pt -83.7 4.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.17 10.27 39.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.79 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.557 ' O ' ' HB3' ' E' ' 24' ' ' ALA . 0.0 OUTLIER -59.7 152.43 57.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.582 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -75.45 21.05 0.48 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.843 2.362 . . . . 0.0 112.61 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -112.66 -135.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -73.39 0.51 12.0 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.096 0.474 . . . . 0.0 110.046 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' E' ' 20' ' ' MET . . . -60.29 -27.08 67.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -56.99 -35.85 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.13 -39.73 95.55 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -62.9 -39.3 94.08 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.615 HD23 HD12 ' E' ' 18' ' ' ILE . 25.1 mt -63.16 -43.49 98.15 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.462 ' HG2' HD12 ' E' ' 33' ' ' ILE . 8.5 tt0 -60.39 -38.92 85.49 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 113.143 -1.844 . . . . 0.0 108.711 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -64.78 -43.27 93.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.493 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -46.82 81.79 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.669 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.442 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 7.9 t80 -61.22 -48.92 79.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.328 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.462 HD12 ' HG2' ' E' ' 29' ' ' GLN . 81.4 mt -64.51 -44.19 96.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.544 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -61.14 -48.42 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.388 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.13 -43.62 98.59 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.346 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' D' ' 37' ' ' LEU . 95.5 m -65.74 -37.57 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 36' ' ' CYS . 25.0 mt -60.62 -41.99 95.94 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.58 -42.25 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.04 -42.94 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 87.2 m -61.69 -41.91 98.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.209 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.57 -40.39 96.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.41 -42.84 99.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.6 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.621 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mm -62.95 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.25 -38.72 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.28 -42.83 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.314 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.509 HG23 ' SD ' ' A' ' 50' ' ' MET . 80.3 mt -63.77 -42.63 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.724 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.35 -44.34 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.363 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.516 ' SD ' HG23 ' D' ' 48' ' ' ILE . 43.5 mtt -63.87 -39.16 93.54 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.281 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.13 -38.74 92.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.984 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' HG22 ' A' ' 4' ' ' VAL . 97.6 mtp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -77.97 -7.75 57.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 109.587 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.99 -37.35 82.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.618 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 1' ' ' MET . 6.1 m -57.52 -27.93 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.526 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.32 -37.26 84.97 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -63.35 -44.62 94.32 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -63.63 -41.03 98.3 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.861 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -59.49 -48.53 81.29 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' A' ' 12' ' ' ILE . 88.3 mtm180 -62.42 -39.52 93.57 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.5 t -59.41 -37.05 77.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.26 0.552 . . . . 0.0 110.044 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.12 88.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.14 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 9' ' ' ARG . 26.0 mt -65.36 -42.34 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.097 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.0 -44.89 87.49 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -38.78 92.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.43 -12.76 59.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -80.09 -32.35 39.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.313 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 ' H ' HG23 ' A' ' 17' ' ' THR . 1.0 OUTLIER -72.09 -34.98 69.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.464 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 pt -72.73 -8.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -129.27 5.21 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.405 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -60.16 -50.73 84.74 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.451 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 20' ' ' MET . 19.8 Cg_exo -62.85 146.14 94.88 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.333 2.022 . . . . 0.0 111.77 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -55.41 -43.14 75.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.24 64.29 8.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -55.36 -41.45 72.57 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.309 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -59.57 -40.31 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.35 0.523 . . . . 0.0 110.405 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -68.45 -32.93 73.28 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.699 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.45 -42.44 98.65 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.532 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 18.4 mt -66.29 -41.93 89.08 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 108.301 -1.0 . . . . 2.22 108.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.54 -42.34 78.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.765 -1.561 . . . . 1.92 107.342 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -63.23 -43.38 98.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.532 -1.213 . . . . 2.55 110.944 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.71 -45.57 78.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.113 -0.635 . . . . 2.5 112.123 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.6 -45.24 94.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 2.48 111.889 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.95 -44.84 81.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.326 -0.55 . . . . 2.47 111.362 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.48 -46.14 87.55 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.06 -0.656 . . . . 2.24 110.457 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.81 -41.35 97.65 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.707 -0.397 . . . . 2.21 110.331 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 92.3 m -66.08 -39.0 89.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.012 -0.675 . . . . 2.5 110.303 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 40' ' ' ILE . 56.0 mt -67.15 -39.62 86.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.708 -0.479 . . . . 2.4 109.708 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.86 -44.36 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 108.319 -0.993 . . . . 1.99 108.319 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.89 -41.09 77.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.636 . . . . 2.22 109.284 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 37' ' ' LEU . 32.3 mt -63.1 -43.13 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.813 -0.81 . . . . 2.41 108.813 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.4 m -57.77 -47.75 81.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.163 -0.68 . . . . 2.29 109.163 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.02 -43.82 98.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.693 0.283 . . . . 2.26 110.257 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.82 -41.6 87.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 2.36 109.054 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 ' CD1' HG23 ' B' ' 40' ' ' ILE . 67.4 mt -64.14 -39.0 93.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 2.21 109.477 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.6 mm -62.38 -44.4 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.059 0 N-CA-C 109.097 -0.705 . . . . 2.36 109.097 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -57.43 -42.81 83.11 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.771 -0.649 . . . . 2.54 109.445 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 HG13 ' E' ' 48' ' ' ILE . 2.8 mt -67.3 -39.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.499 -0.773 . . . . 2.11 110.692 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 52' ' ' LEU . 22.5 mt -61.0 -46.46 96.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 N-CA-C 108.417 -0.957 . . . . 2.55 108.417 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.72 -42.86 93.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.338 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' E' ' 52' ' ' LEU . 18.0 mtt -65.49 -40.46 93.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.176 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -72.33 -29.04 63.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' B' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.444 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.451 ' O ' HG22 ' B' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -78.31 -8.08 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.345 0.593 . . . . 0.0 109.681 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.27 -35.27 76.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.105 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 1' ' ' MET . 6.7 m -59.24 -28.14 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.204 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.29 -37.18 84.84 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.265 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -63.4 -44.57 94.31 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.464 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.8 mp -63.54 -41.13 98.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.953 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 81.4 m -60.19 -45.13 94.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.633 ' HA ' HD12 ' B' ' 12' ' ' ILE . 88.0 mtm180 -65.29 -39.59 92.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.351 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 38.6 t -59.5 -37.0 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 0.0 110.122 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.044 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 9' ' ' ARG . 26.7 mt -65.32 -42.33 93.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.12 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.57 -44.56 89.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.41 -38.95 93.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.344 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -12.68 59.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -80.15 -32.47 38.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.259 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -35.08 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.7 -7.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.491 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -129.56 5.37 5.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.406 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 0.0 OUTLIER -60.39 -50.49 85.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.452 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 20' ' ' MET . 19.0 Cg_exo -62.94 146.39 94.82 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.314 2.009 . . . . 0.0 111.655 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -55.6 -43.06 75.7 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.75 64.96 8.86 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' B' ' 28' ' ' LEU . . . -55.82 -41.49 74.3 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.071 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -58.84 -41.07 86.04 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.927 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.2 -37.27 83.38 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.382 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.07 -42.61 94.94 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 24' ' ' ALA . 19.4 mt -65.78 -41.98 91.33 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.77 -39.19 76.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.888 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -65.36 -45.7 83.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.158 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -45.02 89.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.35 -49.26 77.67 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.127 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.69 -45.25 92.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.773 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.75 -45.18 91.04 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.3 -41.99 98.98 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.934 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 87.9 m -65.19 -40.64 94.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' B' ' 40' ' ' ILE . 56.7 mt -65.62 -40.11 92.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 109.91 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.23 -41.77 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.33 -40.94 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 31.7 mt -62.86 -43.09 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' C' ' 40' ' ' ILE . 63.1 m -59.14 -45.1 91.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.632 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.91 -41.6 99.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.491 ' CD1' HG23 ' C' ' 40' ' ' ILE . 66.1 mt -64.09 -39.0 93.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.475 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 48' ' ' ILE . 5.4 mm -62.59 -43.2 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.79 -42.53 89.28 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' A' ' 48' ' ' ILE . 2.8 mt -66.95 -40.21 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.723 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.657 ' O ' HD12 ' B' ' 52' ' ' LEU . 21.8 mt -60.86 -45.32 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.18 -42.77 88.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 52' ' ' LEU . 17.9 mtt -65.42 -40.49 93.4 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.096 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -72.63 -28.56 62.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.695 HD11 ' SD ' ' C' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.656 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.452 ' O ' HG22 ' C' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -78.16 -8.02 57.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.341 0.591 . . . . 0.0 109.62 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.45 -35.21 76.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.452 HG22 ' O ' ' C' ' 1' ' ' MET . 6.8 m -59.36 -27.93 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.319 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -66.27 -37.35 85.27 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.282 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -63.27 -44.59 94.67 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.453 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.7 mp -63.73 -41.04 98.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.891 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 81.9 m -60.14 -45.14 94.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.629 ' HA ' HD12 ' C' ' 12' ' ' ILE . 88.0 mtm180 -65.41 -39.53 92.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.7 t -59.56 -37.08 77.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 0.0 110.033 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.95 88.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.016 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' C' ' 9' ' ' ARG . 26.5 mt -65.3 -42.47 93.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.164 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.26 -44.54 88.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.382 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -38.9 92.86 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.85 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -80.16 -32.43 38.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.434 HG23 ' H ' ' C' ' 17' ' ' THR . 1.0 OUTLIER -71.76 -35.22 70.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.42 -7.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.737 0.303 . . . . 0.0 111.532 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -129.57 5.39 5.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.405 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 0.0 OUTLIER -60.3 -50.63 84.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.465 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' C' ' 20' ' ' MET . 19.9 Cg_exo -62.82 146.37 95.01 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.306 2.004 . . . . 0.0 111.616 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -55.66 -42.98 75.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -84.77 64.87 8.82 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' C' ' 28' ' ' LEU . . . -55.64 -41.55 73.72 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.276 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -58.99 -41.25 87.16 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.791 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -66.93 -37.37 84.19 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.91 -42.56 94.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' C' ' 24' ' ' ALA . 18.9 mt -65.82 -42.08 91.05 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.56 -39.52 76.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.673 -1.603 . . . . 0.0 107.927 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -65.04 -45.75 84.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.206 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.37 -44.68 90.63 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.57 -49.46 76.55 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.033 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.61 -44.94 93.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.824 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -64.06 -44.91 91.0 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.895 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 87.0 m -65.32 -40.52 93.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' C' ' 40' ' ' ILE . 56.8 mt -65.74 -39.93 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.47 -41.62 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.44 -40.72 87.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' C' ' 37' ' ' LEU . 31.0 mt -63.09 -42.98 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.488 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.5 m -59.06 -45.21 91.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.806 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.76 -41.65 99.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.449 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.49 -41.54 97.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.498 ' CD1' HG23 ' D' ' 40' ' ' ILE . 66.1 mt -64.08 -39.16 93.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.391 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' C' ' 48' ' ' ILE . 5.5 mm -62.51 -43.12 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -58.89 -42.59 89.88 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' B' ' 48' ' ' ILE . 2.8 mt -66.91 -40.44 85.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.654 ' O ' HD12 ' C' ' 52' ' ' LEU . 22.0 mt -60.69 -45.27 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.27 -42.72 88.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.695 ' SD ' HD11 ' B' ' 52' ' ' LEU . 18.4 mtt -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.186 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -72.78 -28.74 62.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' D' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 117.616 -1.183 . . . . 0.0 109.775 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.456 ' O ' HG22 ' D' ' 4' ' ' VAL . 97.4 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -77.96 -8.11 57.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.332 0.587 . . . . 0.0 109.659 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.3 -35.28 76.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.121 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.456 HG22 ' O ' ' D' ' 1' ' ' MET . 6.9 m -59.42 -27.67 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.304 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.48 -37.21 84.6 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.319 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -63.34 -44.68 94.17 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.7 mp -63.64 -40.96 98.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.958 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -60.33 -45.09 94.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.609 ' HA ' HD12 ' D' ' 12' ' ' ILE . 88.0 mtm180 -65.3 -39.75 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.446 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.7 t -59.27 -37.08 76.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 110.159 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.82 87.8 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.248 -0.887 . . . . 0.0 108.985 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' D' ' 9' ' ' ARG . 25.7 mt -65.46 -42.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.059 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.26 -44.66 88.48 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.386 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.51 -38.93 93.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.04 -12.89 60.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 18.2 t -80.08 -32.58 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.707 0.289 . . . . 0.0 111.391 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.64 -35.31 70.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.59 -7.59 9.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.471 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -129.77 5.42 5.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.404 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 0.0 OUTLIER -60.44 -50.51 85.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.395 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' D' ' 20' ' ' MET . 19.4 Cg_exo -62.91 146.32 94.84 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.284 1.989 . . . . 0.0 111.568 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -55.65 -43.12 75.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -84.61 64.85 8.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' D' ' 28' ' ' LEU . . . -55.79 -41.58 74.3 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -58.87 -41.07 86.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.959 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.1 -37.39 83.84 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.02 -42.66 94.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' D' ' 24' ' ' ALA . 19.2 mt -65.56 -42.23 92.08 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.957 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -65.23 -45.72 83.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.132 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -44.75 90.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.49 -49.49 76.54 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.102 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.47 -45.09 93.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.826 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -64.0 -45.06 90.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.826 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.38 -41.64 98.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.913 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 87.2 m -65.6 -40.41 92.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' D' ' 40' ' ' ILE . 56.9 mt -65.88 -39.86 91.06 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.4 -41.7 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.44 -40.79 87.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' D' ' 37' ' ' LEU . 30.9 mt -63.02 -43.07 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' E' ' 40' ' ' ILE . 63.5 m -59.15 -45.03 92.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.795 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.95 -41.5 99.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' E' ' 40' ' ' ILE . 66.5 mt -64.01 -39.09 93.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' D' ' 48' ' ' ILE . 5.5 mm -62.53 -43.12 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.81 -42.77 89.91 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.511 HD11 HG13 ' C' ' 48' ' ' ILE . 2.8 mt -66.68 -40.45 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.658 ' O ' HD12 ' D' ' 52' ' ' LEU . 21.7 mt -60.68 -45.36 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.2 -42.71 88.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.215 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.686 ' SD ' HD11 ' C' ' 52' ' ' LEU . 17.9 mtt -65.43 -40.3 93.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.162 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -72.76 -28.66 62.74 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' E' ' 50' ' ' MET . 3.4 mt . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.681 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.459 ' O ' HG22 ' E' ' 4' ' ' VAL . 97.7 mtp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -77.91 -8.08 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.367 0.603 . . . . 0.0 109.786 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.37 -35.32 77.14 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.106 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.459 HG22 ' O ' ' E' ' 1' ' ' MET . 7.0 m -59.35 -27.84 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.22 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.22 -37.39 85.44 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.302 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -63.24 -44.7 94.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.46 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -63.61 -41.03 98.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -60.2 -45.16 94.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' E' ' 12' ' ' ILE . 88.0 mtm180 -65.36 -39.59 92.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.486 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -59.46 -37.04 77.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.301 0.572 . . . . 0.0 110.064 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.84 88.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' E' ' 9' ' ' ARG . 26.4 mt -65.53 -42.24 92.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.49 -44.66 89.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.359 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.43 -38.88 92.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.309 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.24 -12.6 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -80.35 -32.5 37.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.415 HG23 ' H ' ' E' ' 17' ' ' THR . 0.9 OUTLIER -71.73 -35.24 70.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 47.7 pt -72.56 -7.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.422 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -129.47 5.53 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.409 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 0.0 OUTLIER -60.45 -50.55 85.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.443 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' E' ' 20' ' ' MET . 19.1 Cg_exo -62.82 146.49 95.04 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.311 2.007 . . . . 0.0 111.607 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.88 -42.87 76.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.89 64.91 8.91 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' E' ' 28' ' ' LEU . . . -55.62 -41.76 73.96 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.1 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -58.91 -41.1 86.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.859 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.11 -37.2 83.48 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.132 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.08 -42.75 95.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.194 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' E' ' 24' ' ' ALA . 19.8 mt -65.56 -42.12 92.19 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.7 -39.26 76.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 113.688 -1.596 . . . . 0.0 107.937 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -65.34 -45.69 83.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.173 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.32 -44.91 90.08 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.307 -0.557 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -61.41 -49.14 78.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.077 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.82 -45.04 92.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.821 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.81 -45.14 90.97 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.35 -41.85 98.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 87.2 m -65.42 -40.61 93.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.1 mt -65.71 -39.79 91.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.36 -41.82 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.35 -40.91 87.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 31.0 mt -62.9 -43.09 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.1 m -59.2 -44.97 92.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.738 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.98 -41.8 99.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.495 ' CD1' HG23 ' A' ' 40' ' ' ILE . 66.4 mt -64.18 -39.15 93.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' E' ' 48' ' ' ILE . 5.4 mm -62.43 -43.3 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -58.76 -42.45 88.91 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.508 HD11 HG13 ' D' ' 48' ' ' ILE . 2.8 mt -66.93 -40.37 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.773 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.656 ' O ' HD12 ' E' ' 52' ' ' LEU . 21.9 mt -60.8 -45.18 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.12 -42.95 88.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' D' ' 52' ' ' LEU . 17.8 mtt -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.197 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' A' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 117.542 -1.218 . . . . 0.0 109.766 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.96 -53.16 28.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 0.0 109.769 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.6 -26.47 2.73 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.53 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.2 m -59.21 -24.42 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -61.28 -42.2 98.23 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -65.08 -42.93 93.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.933 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.4 mp -61.47 -44.15 97.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.4 m -60.29 -43.61 96.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.911 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.83 -38.94 92.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.941 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.414 ' HA ' HH11 ' A' ' 13' ' ' ARG . 16.2 m -60.38 -34.52 74.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.95 85.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 12' ' ' ILE . 29.2 mm -65.12 -41.97 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.089 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 HH11 ' HA ' ' A' ' 10' ' ' SER . 83.5 mtt85 -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.421 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -60.27 -44.81 95.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.74 -22.97 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -69.17 -34.19 74.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.043 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -43.46 52.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.923 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.8 pt -70.18 -13.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -108.78 -5.84 16.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.6 ttt -144.35 80.96 11.66 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.386 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.689 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.7 Cg_exo -58.93 -24.17 71.54 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.17 2.58 . . . . 0.0 111.449 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.03 -29.11 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.479 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -58.66 -46.02 88.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 176.9 99.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.193 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -59.86 -34.92 73.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -65.38 -34.72 78.98 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.31 -42.16 98.99 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 21' ' ' PRO . 10.6 mt -61.44 -42.85 99.4 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 108.118 -1.068 . . . . 2.04 108.118 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.97 -40.25 88.42 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 113.994 -1.457 . . . . 2.3 108.166 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -64.01 -43.07 96.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.366 -0.834 . . . . 2.43 110.909 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.71 -46.21 72.89 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.276 -0.57 . . . . 2.39 110.609 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.96 -43.22 95.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.941 0.401 . . . . 2.44 111.586 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 33' ' ' ILE . 83.9 mt -70.46 -43.82 77.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.06 -0.518 . . . . 2.29 110.781 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.98 -50.05 74.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.14 -0.482 . . . . 2.32 110.524 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -63.73 -41.97 97.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.314 -0.403 . . . . 2.49 110.878 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD13 ' E' ' 37' ' ' LEU . 62.7 m -65.01 -42.28 94.58 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.326 -0.55 . . . . 2.34 110.829 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.3 mt -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.584 -0.525 . . . . 2.18 109.584 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.51 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.197 -1.038 . . . . 2.2 108.197 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.56 -39.68 91.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.909 -0.587 . . . . 2.34 109.853 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.26 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.619 -0.882 . . . . 2.34 108.619 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.07 -42.21 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.247 -0.888 . . . . 2.17 109.114 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.34 -42.38 99.34 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.72 -0.474 . . . . 2.16 109.72 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.5 -42.97 93.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.879 -0.786 . . . . 2.44 108.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.14 -39.17 93.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.508 -0.553 . . . . 2.34 109.508 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.1 -43.38 97.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 109.146 -0.687 . . . . 2.24 109.146 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -58.22 -40.52 81.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 2.31 109.802 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.7 -41.65 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.088 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.72 -46.09 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 N-CA-C 108.282 -1.007 . . . . 2.57 108.282 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.76 -46.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.302 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.439 ' HB3' HD11 ' E' ' 51' ' ' LEU . 81.8 mmm -63.97 -42.0 97.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -80.09 -21.45 43.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.233 0.539 . . . . 0.0 110.244 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' B' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.16 -53.27 26.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.63 -26.1 2.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 m -59.61 -24.38 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -61.21 -42.08 97.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.18 -42.88 93.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.866 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.499 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.3 mp -62.23 -42.62 99.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.741 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -61.56 -43.17 99.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.832 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -64.01 -39.7 94.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.91 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.405 ' HA ' HH11 ' B' ' 13' ' ' ARG . 16.1 m -59.57 -35.21 73.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.47 88.2 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.85 -42.03 93.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.097 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.405 HH11 ' HA ' ' B' ' 10' ' ' SER . 83.6 mtt85 -58.95 -41.78 88.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.386 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -61.35 -43.58 98.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.01 61.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.84 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -69.34 -34.04 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.04 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.434 HG23 ' H ' ' B' ' 17' ' ' THR . 0.8 OUTLIER -75.1 -43.81 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.809 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 pt -69.86 -14.01 17.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -108.89 -5.78 16.03 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 7.7 ttt -144.32 80.86 11.77 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.675 ' HA ' HD11 ' B' ' 28' ' ' LEU . 38.3 Cg_exo -58.75 -24.69 72.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.186 2.591 . . . . 0.0 111.262 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.59 -29.21 61.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.464 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -58.66 -45.91 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.12 101.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.807 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -61.2 -35.16 76.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.109 0.48 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -64.14 -37.86 88.99 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.55 -39.98 93.05 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' B' ' 21' ' ' PRO . 11.2 mt -63.13 -43.04 99.51 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.46 -38.53 84.52 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.711 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -64.79 -44.13 90.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.565 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.68 -43.98 78.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.26 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.5 -48.18 82.88 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.449 HG12 HG21 ' A' ' 33' ' ' ILE . 90.5 mt -66.25 -43.73 91.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.353 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -61.46 -49.47 76.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.34 -42.46 98.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.402 ' CB ' HD13 ' A' ' 37' ' ' LEU . 61.9 m -64.41 -44.76 90.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.562 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.6 mt -63.72 -38.51 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.878 0.371 . . . . 0.0 110.065 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.17 -43.83 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.84 -39.86 95.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.318 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.81 -42.57 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -62.34 -41.26 98.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.703 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.6 mt -62.56 -41.45 98.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.12 -42.9 99.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.22 -38.92 92.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.487 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.62 -42.41 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.23 -40.28 85.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.801 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.43 -43.11 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.45 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 109.409 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.72 -44.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.129 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.444 ' HB3' HD11 ' A' ' 51' ' ' LEU . 81.0 mmm -65.8 -41.81 91.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.945 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.488 ' O ' HD12 ' B' ' 51' ' ' LEU . 0.4 OUTLIER -79.85 -21.47 44.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.245 0.545 . . . . 0.0 110.104 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.433 HD22 ' SD ' ' C' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.21 -53.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.27 -26.25 2.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.59 -24.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -61.29 -42.04 97.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -65.12 -43.16 92.87 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.886 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.493 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.4 mp -62.08 -42.6 99.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 72.8 m -61.8 -43.39 98.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -63.54 -39.58 94.79 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.068 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' SER . . . . . 0.41 ' HA ' HH11 ' C' ' 13' ' ' ARG . 15.7 m -59.44 -35.54 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.49 89.05 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' C' ' 12' ' ' ILE . 28.4 mm -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.011 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.41 HH11 ' HA ' ' C' ' 10' ' ' SER . 83.5 mtt85 -59.09 -41.78 88.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.478 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.44 61.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -68.98 -34.19 74.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.982 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.435 HG23 ' H ' ' C' ' 17' ' ' THR . 0.8 OUTLIER -75.14 -43.55 51.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.871 -179.588 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 pt -70.12 -14.02 17.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.228 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.69 -5.97 16.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -144.08 80.73 12.13 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.453 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.69 ' HA ' HD11 ' C' ' 28' ' ' LEU . 37.9 Cg_exo -58.87 -24.32 71.76 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 123.23 2.62 . . . . 0.0 111.318 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.88 -29.24 62.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.56 -46.26 87.25 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.32 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -61.02 -35.49 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -64.03 -37.96 89.35 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -40.03 92.85 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.547 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' C' ' 21' ' ' PRO . 11.4 mt -62.98 -42.99 99.99 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.45 -38.57 84.57 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.558 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -65.0 -43.94 90.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.71 -44.07 78.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.35 -47.84 84.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.446 HG21 HG12 ' D' ' 33' ' ' ILE . 89.1 mt -66.83 -43.47 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -61.48 -49.9 74.92 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.599 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.3 -42.17 99.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.761 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.409 ' HB2' HD13 ' B' ' 37' ' ' LEU . 63.8 m -64.5 -45.18 88.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.9 mt -63.2 -39.02 93.44 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.102 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.83 -43.92 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.83 -39.94 95.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.682 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.61 -43.17 97.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.1 -38.92 92.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.523 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.64 -42.11 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.66 -40.26 87.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.708 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.31 -42.92 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.7 -42.56 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.507 0.67 . . . . 0.0 109.231 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.44 -44.86 97.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.34 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.433 ' SD ' HD22 ' B' ' 52' ' ' LEU . 80.5 mmm -65.46 -41.94 92.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.079 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.472 ' O ' HD12 ' C' ' 51' ' ' LEU . 0.4 OUTLIER -79.76 -21.71 44.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.436 HD22 ' SD ' ' D' ' 50' ' ' MET . 47.7 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.309 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.0 -53.77 23.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 109.665 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.05 -26.33 2.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.48 -24.16 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -61.48 -41.72 97.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.49 -43.0 91.55 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.692 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.495 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.4 mp -62.08 -42.35 99.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 0.0 109.824 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -61.87 -43.34 99.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.643 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.14 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' SER . . . . . 0.417 ' HA ' HH11 ' D' ' 13' ' ' ARG . 16.5 m -59.41 -35.24 73.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.76 -39.34 87.85 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -65.14 -41.63 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.975 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.417 HH11 ' HA ' ' D' ' 10' ' ' SER . 83.5 mtt85 -59.32 -41.58 89.4 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.479 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -61.65 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -23.49 62.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.761 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -69.15 -33.79 73.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.144 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -43.26 49.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.71 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 pt -70.39 -13.58 17.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.233 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.91 -6.3 15.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -143.74 80.82 12.47 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.431 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.689 ' HA ' HD11 ' D' ' 28' ' ' LEU . 35.8 Cg_exo -58.77 -24.27 70.71 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.953 2.435 . . . . 0.0 111.615 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -56.86 -29.27 62.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.336 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -58.6 -46.25 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.46 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.797 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -61.11 -35.42 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.983 0.421 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -63.72 -38.14 90.01 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.419 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' D' ' 21' ' ' PRO . 11.5 mt -63.17 -42.99 99.5 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.44 -38.49 84.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.52 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -64.92 -44.21 90.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.43 -44.11 79.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.46 -47.88 84.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.191 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.45 HG21 HG12 ' E' ' 33' ' ' ILE . 88.7 mt -66.69 -43.42 90.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -61.39 -49.98 74.71 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.692 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.21 -42.14 99.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.413 ' HB2' HD13 ' C' ' 37' ' ' LEU . 64.0 m -64.78 -44.9 88.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.398 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 37' ' ' LEU . 26.1 mt -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.064 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.85 -43.95 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.76 -39.94 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.438 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' D' ' 43' ' ' LEU . 1.6 mm -62.8 -42.55 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.48 -41.13 98.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.46 -41.6 98.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.836 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 40' ' ' ILE . 41.8 mt -60.65 -43.1 98.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.24 -39.03 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.586 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.58 -42.25 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.66 -40.16 86.81 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.27 -42.84 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -42.58 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.35 -44.98 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.056 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.261 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.436 ' SD ' HD22 ' C' ' 52' ' ' LEU . 80.6 mmm -65.33 -41.99 93.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.023 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.458 ' O ' HD12 ' D' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -21.75 43.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 110.05 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.43 HD22 ' SD ' ' E' ' 50' ' ' MET . 47.2 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.427 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.11 -53.35 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.4 -26.19 2.82 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.53 -24.4 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -61.14 -42.17 98.06 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.14 -43.04 93.17 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.897 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.485 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.4 mp -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.152 0.501 . . . . 0.0 109.775 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.9 m -61.86 -43.53 98.65 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -63.5 -39.6 94.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.143 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' SER . . . . . 0.404 ' HA ' HH11 ' E' ' 13' ' ' ARG . 15.9 m -59.71 -35.19 74.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.43 88.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.421 -0.809 . . . . 0.0 108.825 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.0 -42.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.24 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.404 HH11 ' HA ' ' E' ' 10' ' ' SER . 83.7 mtt85 -59.01 -41.54 87.93 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.518 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -61.71 -43.31 99.1 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -23.05 62.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.951 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -69.05 -34.28 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.165 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.411 HG23 ' H ' ' E' ' 17' ' ' THR . 0.8 OUTLIER -75.1 -43.81 50.86 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.747 -179.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 pt -69.8 -14.22 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.272 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.8 -5.78 16.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -144.01 80.7 12.24 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.353 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.674 ' HA ' HD11 ' E' ' 28' ' ' LEU . 39.2 Cg_exo -58.68 -24.47 70.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 123.117 2.545 . . . . 0.0 111.368 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.63 -29.33 62.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.53 -46.14 87.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.33 101.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.765 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -61.33 -35.39 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -64.05 -37.85 88.92 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -61.41 -40.09 93.12 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' E' ' 21' ' ' PRO . 11.4 mt -63.12 -42.95 99.62 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.42 -38.6 84.56 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.639 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -64.82 -44.08 91.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.76 -43.78 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.87 -48.19 82.96 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.228 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.45 HG12 HG21 ' D' ' 33' ' ' ILE . 89.5 mt -66.32 -43.52 91.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.243 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.57 -49.6 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.633 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.47 -42.09 98.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.409 ' CB ' HD13 ' D' ' 37' ' ' LEU . 62.0 m -64.57 -45.15 88.3 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' E' ' 37' ' ' LEU . 26.6 mt -63.4 -38.75 92.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.84 -43.88 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.68 -40.06 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.462 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.72 -42.56 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.55 -41.19 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.48 -41.55 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -43.16 99.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.16 -38.74 92.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.518 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.66 -42.4 95.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.31 -40.43 86.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.602 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.18 -42.9 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.75 -42.31 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.391 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.72 -44.68 96.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.438 ' HB3' HD11 ' D' ' 51' ' ' LEU . 81.2 mmm -65.56 -41.8 92.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.979 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.49 ' O ' HD12 ' E' ' 51' ' ' LEU . 0.4 OUTLIER -80.07 -21.48 43.34 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.409 0.623 . . . . 0.0 110.168 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.428 HD22 ' SD ' ' A' ' 50' ' ' MET . 48.6 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.172 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.73 -1.51 31.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 98.9 mttt -61.52 -44.69 96.61 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 m -65.29 -32.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.362 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -34.2 75.39 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.744 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 19.5 m-85 -63.87 -44.2 93.79 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.0 mp -62.75 -43.52 98.59 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -57.76 -42.9 84.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.46 -40.19 95.25 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.078 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.427 ' HA ' HH11 ' A' ' 13' ' ' ARG . 15.6 m -61.3 -32.71 72.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.22 84.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 12' ' ' ILE . 31.3 mm -64.96 -42.39 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.952 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' A' ' 10' ' ' SER . 84.4 mtt85 -59.24 -41.41 88.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -64.4 -37.29 87.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.727 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.54 -14.35 56.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.223 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.13 -34.16 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.49 -36.07 68.32 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.808 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 pt -64.33 -21.18 28.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.539 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.41 -3.37 21.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.213 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.92 83.16 36.78 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.048 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.09 -21.52 62.93 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.51 2.14 . . . . 0.0 110.725 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.26 -31.91 70.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.868 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.68 -52.25 64.03 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.829 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HB3' HD22 ' A' ' 27' ' ' ASN . . . 175.98 94.87 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 -58.51 -34.14 70.62 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.387 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.66 -41.53 86.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.566 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 HD22 ' HB3' ' A' ' 24' ' ' ALA . 69.1 m-20 -65.39 -40.96 94.11 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.463 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.9 -43.3 93.3 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.179 -1.045 . . . . 2.16 108.179 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -60.24 -43.7 95.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 113.864 -1.516 . . . . 2.2 108.447 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.6 -45.08 94.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.001 -1.0 . . . . 2.39 111.01 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.46 -44.99 77.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.584 -0.446 . . . . 2.37 111.457 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.866 0.321 . . . . 2.43 111.866 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.12 -43.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 120.725 -0.39 . . . . 2.37 110.666 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.02 -49.55 75.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.433 -0.507 . . . . 2.29 110.546 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.71 -40.87 98.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.914 -0.315 . . . . 2.39 110.264 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' E' ' 37' ' ' LEU . 4.1 m -63.31 -42.43 99.02 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.357 -0.537 . . . . 2.33 110.198 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.8 mt -63.67 -39.09 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 2.19 110.091 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.95 -43.77 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.916 -0.772 . . . . 2.15 108.916 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.59 -40.95 93.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 2.28 109.791 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.511 HG22 HD12 ' B' ' 40' ' ' ILE . 36.4 mm -63.38 -42.27 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.975 -0.75 . . . . 2.36 108.975 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.8 m -60.99 -46.0 92.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.436 -0.802 . . . . 2.32 109.096 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.11 -42.45 99.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.471 -0.331 . . . . 2.2 110.316 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' E' ' 44' ' ' LEU . 20.0 mt -59.39 -42.87 92.71 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.743 -0.465 . . . . 2.26 109.743 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' HD13 ' B' ' 43' ' ' LEU . 6.9 mt -63.84 -38.68 92.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.612 -0.514 . . . . 2.29 109.612 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.7 mm -62.56 -43.1 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.158 -0.682 . . . . 2.28 109.158 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.48 -39.04 89.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.897 -0.592 . . . . 2.33 109.539 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.414 HD13 HD21 ' E' ' 51' ' ' LEU . 9.3 mm -64.24 -41.93 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.92 -0.582 . . . . 2.17 109.954 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.01 -42.34 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.521 0.677 . . . . 2.34 109.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 45' ' ' ILE . 56.0 t -64.68 -44.06 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.792 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.95 -41.89 99.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.136 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.4 pp -78.21 -20.6 51.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.309 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -78.12 -1.18 31.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 98.9 mttt -61.69 -44.31 97.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 m -65.63 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.385 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.08 75.03 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.722 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 19.5 m-85 -63.75 -44.69 92.74 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.58 -40.42 96.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -60.55 -42.69 97.06 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.49 -39.85 94.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.148 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.416 ' HA ' HH11 ' B' ' 13' ' ' ARG . 15.5 m -61.18 -33.29 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.49 86.73 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.74 -42.53 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 108.964 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.416 HH11 ' HA ' ' B' ' 10' ' ' SER . 84.5 mtt85 -59.1 -40.89 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.132 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.12 -37.29 86.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.811 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.11 -14.19 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.15 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -93.4 -34.12 13.58 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.69 -36.03 67.78 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.756 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.31 -21.3 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.73 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.31 -3.41 21.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.13 83.11 38.17 Favored Pre-proline 0 N--CA 1.455 -0.2 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.984 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.99 -21.26 63.87 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.489 2.126 . . . . 0.0 110.785 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.45 -31.82 70.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.72 -51.86 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.85 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.69 95.42 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.455 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.16 -33.56 71.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 109.744 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.39 -42.3 86.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.315 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -64.62 -41.33 96.27 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 15.0 mt -64.56 -43.0 95.3 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.97 -39.83 93.52 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.238 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.19 -45.72 83.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.456 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.63 -43.66 79.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.0 -48.09 83.45 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.778 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.81 -44.01 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -62.55 -48.86 77.66 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.76 -40.77 98.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.559 ' CB ' HD13 ' A' ' 37' ' ' LEU . 4.6 m -63.28 -44.58 94.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.879 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' C' ' 36' ' ' CYS . 26.8 mt -61.71 -39.3 91.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.406 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.9 -42.71 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.55 -40.54 95.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 40' ' ' ILE . 34.8 mm -63.48 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' C' ' 40' ' ' ILE . 73.0 m -61.38 -44.66 96.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.688 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.11 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.392 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 44' ' ' LEU . 19.3 mt -61.34 -42.94 99.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.666 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' C' ' 43' ' ' LEU . 6.9 mt -63.96 -38.95 92.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 49' ' ' VAL . 6.3 mm -62.38 -43.19 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.5 -38.67 88.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.584 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.425 HD13 HD21 ' A' ' 51' ' ' LEU . 9.5 mm -64.13 -43.44 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.407 HG13 HD11 ' C' ' 47' ' ' ILE . 88.5 mt -63.6 -41.72 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-O 121.519 0.676 . . . . 0.0 109.699 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.2 t -65.24 -43.68 95.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.955 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.43 -41.7 98.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.018 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.463 HD12 ' C ' ' B' ' 51' ' ' LEU . 4.5 pp -78.43 -20.93 50.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.746 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.083 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -77.98 -1.11 30.43 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.29 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 98.8 mttt -61.7 -44.45 96.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.407 ' H ' HG13 ' C' ' 4' ' ' VAL . 1.8 m -65.58 -32.74 59.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -34.09 75.12 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.776 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 19.8 m-85 -63.68 -44.73 92.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.56 -40.4 96.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -60.6 -42.57 97.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.57 -39.91 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.18 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' SER . . . . . 0.427 ' HA ' HH11 ' C' ' 13' ' ' ARG . 15.6 m -61.2 -33.28 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.41 86.8 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' C' ' 12' ' ' ILE . 33.8 mm -65.02 -42.22 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.158 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' C' ' 10' ' ' SER . 84.5 mtt85 -59.62 -40.47 87.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.941 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.16 -37.37 87.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.774 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.05 -14.03 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -93.23 -34.57 13.52 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -72.24 -36.47 69.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.825 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 39.9 pt -64.06 -21.24 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.29 -3.41 21.24 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.133 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.11 83.14 38.09 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.973 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.92 -21.51 63.93 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.552 2.168 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.26 -31.89 70.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.939 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.696 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.57 95.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -59.25 -33.61 71.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.12 0.486 . . . . 0.0 109.762 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.36 -42.3 86.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.183 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.652 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.29 -43.16 95.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.99 -39.88 93.72 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.172 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.3 -45.47 84.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.43 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.61 -43.35 80.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.088 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.25 -48.35 81.86 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.44 -44.21 90.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.24 -49.23 76.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.52 -40.84 98.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' B' ' 37' ' ' LEU . 4.1 m -63.23 -44.64 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.249 -0.581 . . . . 0.0 109.826 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' D' ' 36' ' ' CYS . 26.9 mt -61.91 -39.06 90.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.99 -42.64 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.53 -40.57 95.16 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.504 HG22 HD12 ' D' ' 40' ' ' ILE . 35.2 mm -63.58 -42.59 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' D' ' 40' ' ' ILE . 73.8 m -61.37 -44.59 96.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.68 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.9 mt -61.43 -42.87 99.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.532 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' D' ' 43' ' ' LEU . 6.9 mt -63.85 -38.83 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.63 -43.21 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.34 -38.82 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.422 HD13 HD21 ' B' ' 51' ' ' LEU . 9.3 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.406 HG13 HD11 ' D' ' 47' ' ' ILE . 85.8 mt -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 CA-C-O 121.399 0.619 . . . . 0.0 109.851 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.37 -43.57 94.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.55 -41.6 98.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.984 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.449 ' C ' HD12 ' C' ' 51' ' ' LEU . 4.4 pp -78.43 -20.71 50.49 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.523 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.197 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.85 -1.47 31.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 98.8 mttt -61.63 -44.36 97.13 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.451 ' H ' HG13 ' D' ' 4' ' ' VAL . 1.8 m -65.72 -32.64 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.248 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.08 74.97 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 20.0 m-85 -63.71 -44.81 92.52 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.38 -40.47 97.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 99.5 m -60.58 -42.64 97.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.59 -39.66 94.13 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.151 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' SER . . . . . 0.429 ' HA ' HH11 ' D' ' 13' ' ' ARG . 15.6 m -61.28 -33.33 73.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.44 86.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' D' ' 12' ' ' ILE . 30.9 mm -64.96 -42.53 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.035 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.429 HH11 ' HA ' ' D' ' 10' ' ' SER . 84.5 mtt85 -59.15 -40.76 86.54 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.91 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.08 -37.44 87.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.2 -13.89 58.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.267 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.65 -34.44 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.28 -36.27 68.94 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.851 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 39.2 pt -64.11 -21.15 28.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.681 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.49 -3.34 21.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.152 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.08 83.08 37.79 Favored Pre-proline 0 N--CA 1.455 -0.181 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.947 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.99 -21.4 63.74 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.465 2.11 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.19 -31.99 70.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.801 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.52 -51.95 65.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.907 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.66 95.26 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.305 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -59.18 -33.28 70.74 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -58.56 -42.37 87.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.236 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -64.66 -41.2 96.25 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.43 -43.13 95.27 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.73 -39.96 93.39 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.182 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.33 -45.58 83.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.567 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.79 -43.37 79.88 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.982 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.03 -48.2 82.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.73 -44.07 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -62.28 -48.87 77.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.991 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -63.06 -40.47 97.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.836 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.568 ' CB ' HD13 ' C' ' 37' ' ' LEU . 3.9 m -63.45 -44.78 93.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.701 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' E' ' 36' ' ' CYS . 26.7 mt -61.82 -38.98 90.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.19 -42.43 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.73 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.516 HG22 HD12 ' E' ' 40' ' ' ILE . 34.7 mm -63.55 -42.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.5 m -61.52 -44.54 96.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.695 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.47 -40.46 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.7 mt -61.5 -42.91 99.52 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.425 ' HB2' HD13 ' E' ' 43' ' ' LEU . 6.8 mt -63.76 -38.96 93.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.416 ' O ' HG23 ' D' ' 49' ' ' VAL . 6.2 mm -62.28 -43.33 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.31 -38.88 88.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.574 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.417 HD13 HD21 ' C' ' 51' ' ' LEU . 9.2 mm -64.21 -43.4 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.414 HG13 HD11 ' E' ' 47' ' ' ILE . 88.0 mt -63.28 -42.07 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 CA-C-O 121.402 0.62 . . . . 0.0 109.749 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 49' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 45' ' ' ILE . 55.8 t -65.07 -43.76 95.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.831 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.54 -41.56 98.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.468 HD12 ' C ' ' D' ' 51' ' ' LEU . 4.4 pp -78.66 -20.55 49.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.417 ' N ' HD12 ' D' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.568 0 CA-C-O 117.877 -1.058 . . . . 0.0 110.191 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -78.02 -1.43 32.17 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' LYS . . . . . 0.432 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 98.9 mttt -61.53 -44.45 97.03 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.44 ' H ' HG13 ' E' ' 4' ' ' VAL . 1.8 m -65.76 -32.27 57.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.896 -1.502 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.03 74.57 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.799 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 19.7 m-85 -63.86 -44.37 93.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.76 -40.54 96.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -60.41 -42.44 95.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.64 -40.2 95.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.127 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' SER . . . . . 0.425 ' HA ' HH11 ' E' ' 13' ' ' ARG . 15.6 m -61.02 -33.21 72.91 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.5 86.77 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' E' ' 12' ' ' ILE . 31.4 mm -64.68 -42.51 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.01 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.425 HH11 ' HA ' ' E' ' 10' ' ' SER . 84.4 mtt85 -59.31 -40.58 86.67 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.072 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -65.23 -37.24 86.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.734 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.07 -14.44 57.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.17 -34.24 13.69 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -72.49 -36.2 68.37 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.845 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.2 -21.32 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.722 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.24 -3.47 21.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.268 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.14 83.18 38.33 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.013 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.86 -21.62 64.14 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.437 2.091 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.18 -31.89 70.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.54 -51.76 66.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.733 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.404 ' HB3' HD22 ' E' ' 27' ' ' ASN . . . 175.45 95.46 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.25 -33.48 71.08 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -58.4 -42.25 86.71 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' E' ' 24' ' ' ALA . 68.8 m-20 -64.81 -41.26 95.92 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.27 -43.35 95.1 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.79 -40.01 93.7 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.144 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.2 -45.64 83.93 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.498 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.77 -43.48 79.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.693 0.283 . . . . 0.0 110.515 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.85 -44.23 89.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.28 -48.5 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.04 -40.71 98.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.8 m -63.38 -44.64 94.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.766 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.551 HD13 ' CB ' ' A' ' 36' ' ' CYS . 26.9 mt -61.78 -39.07 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.386 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.32 -42.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.42 -40.63 95.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.516 HD12 HG22 ' D' ' 40' ' ' ILE . 36.3 mm -63.65 -42.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' A' ' 40' ' ' ILE . 70.9 m -61.57 -44.56 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.703 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.25 -40.79 98.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' D' ' 44' ' ' LEU . 19.5 mt -61.24 -42.66 98.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.424 ' HB2' HD13 ' A' ' 43' ' ' LEU . 6.8 mt -64.29 -38.76 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.417 ' O ' HG23 ' E' ' 49' ' ' VAL . 6.2 mm -62.51 -43.06 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.52 -38.82 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.656 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.414 HD11 HG13 ' D' ' 48' ' ' ILE . 9.8 mm -64.05 -43.52 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.38 -41.95 94.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.434 0.635 . . . . 0.0 109.818 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 49' ' ' VAL . . . . . 0.417 HG23 ' O ' ' E' ' 45' ' ' ILE . 56.0 t -65.12 -43.73 95.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.57 -41.64 98.37 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.879 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.452 ' C ' HD12 ' E' ' 51' ' ' LEU . 4.5 pp -78.56 -20.37 50.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.701 -1.142 . . . . 0.0 110.153 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.301 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.67 -11.44 22.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.464 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -28.18 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.93 -38.99 90.53 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.535 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.27 -44.89 82.31 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.3 mp -60.18 -40.36 89.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 31.3 m -59.86 -49.89 75.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -57.76 -38.74 75.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -62.06 -32.82 73.39 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -65.84 -39.8 91.14 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.277 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.84 -43.11 94.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -59.68 -43.74 93.91 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.83 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -59.83 -45.13 93.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.7 64.94 1.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.9 -60.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 17' ' ' THR . 1.9 p -70.16 -32.4 70.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.54 -4.51 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.408 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -138.57 19.15 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.98 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.94 166.67 40.69 Favored Pre-proline 0 C--O 1.224 -0.269 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -66.95 -18.93 52.48 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 121.688 1.592 . . . . 0.0 110.623 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.68 -49.3 75.67 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.845 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.412 HE22 ' CG ' ' B' ' 26' ' ' GLN . 84.7 mt-30 -144.22 150.86 38.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.043 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.72 -66.94 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -62.12 -40.2 95.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.41 ' CG ' HE22 ' E' ' 23' ' ' GLN . 20.6 mt-30 -64.05 -35.79 81.89 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.137 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -63.2 -38.0 89.43 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.528 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.24 -43.33 99.06 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 108.018 -1.104 . . . . 2.15 108.018 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.8 -42.35 97.42 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.156 -1.384 . . . . 2.58 107.809 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -62.58 -49.34 75.64 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.26 -0.576 . . . . 2.23 111.849 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.34 -44.89 93.56 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.813 -0.355 . . . . 2.23 111.289 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 21.3 t80 -57.45 -52.34 65.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.958 -0.756 . . . . 2.47 108.958 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.78 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.534 -0.466 . . . . 2.27 111.049 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.57 -53.14 61.55 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.692 -0.403 . . . . 2.36 110.046 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -57.55 -42.5 83.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.371 -0.377 . . . . 2.56 110.673 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 96.5 m -65.33 -37.04 85.88 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.203 -0.599 . . . . 1.99 110.776 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' B' ' 36' ' ' CYS . 21.8 mt -60.89 -41.34 95.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.19 -0.67 . . . . 2.14 109.19 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 38' ' ' ILE . 29.1 mm -64.13 -43.3 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.165 -0.68 . . . . 2.51 109.165 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.32 -42.16 99.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.04 -42.8 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.335 -0.617 . . . . 2.25 109.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.84 -43.81 98.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 2.32 108.791 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.01 -42.85 99.6 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.682 0.277 . . . . 2.18 110.28 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.17 -42.68 95.49 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.051 -0.722 . . . . 2.35 109.051 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.992 -0.549 . . . . 2.31 109.951 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.41 -42.62 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.338 -0.616 . . . . 2.12 109.338 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.83 -39.3 88.49 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.427 -0.583 . . . . 2.26 109.427 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -65.13 -41.57 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.953 -0.567 . . . . 2.33 109.92 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.599 HG23 ' SD ' ' B' ' 50' ' ' MET . 77.9 mt -64.01 -43.96 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 121.425 0.631 . . . . 2.35 109.32 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.01 -44.2 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.393 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.582 ' SD ' HG23 ' E' ' 48' ' ' ILE . 51.3 mtt -64.35 -39.41 93.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.814 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.23 -38.11 89.87 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.932 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.66 -23.94 66.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.95 -9.3 22.92 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -27.94 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.64 -39.55 91.72 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.333 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.46 -41.89 88.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.874 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.45 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.2 mp -62.55 -40.06 95.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 31.0 m -61.88 -44.42 96.84 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.7 -39.0 92.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.56 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.49 -33.16 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 8' ' ' THR . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.328 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.73 -42.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.62 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.5 -39.13 89.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.73 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -63.8 -41.56 97.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.08 65.68 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.71 -60.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -70.67 -32.11 69.25 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.94 -4.15 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.409 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -139.1 18.79 2.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.031 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.81 166.88 39.39 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.08 -19.12 51.65 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 121.508 1.472 . . . . 0.0 110.705 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.27 -49.57 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.873 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.403 HE22 ' CG ' ' C' ' 26' ' ' GLN . 85.1 mt-30 -144.14 151.04 39.02 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' B' ' 28' ' ' LEU . . . -143.75 -67.44 0.34 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.3 -40.78 95.44 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.571 0.545 . . . . 0.0 112.065 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.412 ' CG ' HE22 ' A' ' 23' ' ' GLN . 22.3 mt-30 -63.37 -37.73 88.39 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -62.35 -35.26 78.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.412 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 24' ' ' ALA . 16.9 mt -63.38 -42.87 98.86 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.54 -38.94 91.99 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.006 -1.452 . . . . 0.0 108.553 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -64.65 -49.98 68.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.24 -42.87 96.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.877 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 21.8 t80 -59.53 -49.58 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.594 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -64.22 -43.87 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -61.07 -47.92 84.12 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.4 -42.45 99.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.204 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 97.5 m -64.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.653 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' C' ' 36' ' ' CYS . 22.2 mt -59.83 -42.2 93.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.59 -43.15 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.2 -42.53 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.724 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.01 -43.24 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 97.0 m -62.14 -42.67 99.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.491 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.7 -41.4 99.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.085 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.72 -42.65 99.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.83 -39.68 94.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.836 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.23 -42.57 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.5 m -60.63 -39.59 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -64.84 -42.46 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.1 mt -63.35 -42.8 97.64 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 121.347 0.594 . . . . 0.0 109.661 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.39 -44.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.106 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.599 ' SD ' HG23 ' A' ' 48' ' ' ILE . 51.7 mtt -64.03 -39.67 94.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.738 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.87 -38.6 91.7 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.715 179.797 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.81 -23.81 66.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.82 -9.55 22.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.63 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -28.32 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.36 -39.44 90.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.387 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.76 -41.93 86.94 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.661 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.468 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.3 mp -62.28 -40.21 95.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' C' ' 11' ' ' ALA . 28.5 m -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 17.0 m -61.82 -33.11 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' C' ' 8' ' ' THR . . . -66.0 -38.52 88.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.439 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -61.54 -42.76 95.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.71 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.66 -39.12 90.24 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.65 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -63.78 -41.14 98.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.59 65.49 1.06 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.63 -60.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -71.01 -32.29 69.04 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.84 -3.95 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -139.02 18.71 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.029 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.85 166.71 40.52 Favored Pre-proline 0 N--CA 1.464 0.25 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.919 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.01 -18.99 52.21 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.609 1.54 . . . . 0.0 110.774 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -62.3 -49.4 75.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' GLN . . . . . 0.406 HE22 ' CG ' ' D' ' 26' ' ' GLN . 85.1 mt-30 -144.28 151.36 39.29 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.983 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' C' ' 28' ' ' LEU . . . -144.0 -67.08 0.34 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -61.72 -40.99 97.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.487 0.492 . . . . 0.0 112.085 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.403 ' CG ' HE22 ' B' ' 23' ' ' GLN . 21.6 mt-30 -62.97 -37.68 88.08 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 109.946 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -62.55 -35.53 79.74 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.321 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' C' ' 24' ' ' ALA . 16.4 mt -63.02 -42.92 99.91 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.57 -38.79 91.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.965 -1.471 . . . . 0.0 108.611 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -64.73 -49.94 68.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -43.07 96.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 21.7 t80 -59.61 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.644 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.97 -43.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.98 -48.23 82.77 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.836 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.31 -42.41 99.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.088 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 96.9 m -64.6 -38.11 89.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' D' ' 36' ' ' CYS . 22.3 mt -60.0 -41.67 92.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.86 -43.11 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.27 -42.42 99.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 32.7 mm -63.08 -43.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.1 -42.49 99.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.555 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.05 -41.4 99.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.19 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.68 -42.89 99.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.7 -39.76 95.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.811 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.23 -42.72 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.5 m -60.51 -39.55 88.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.91 -42.54 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.877 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.593 HG23 ' SD ' ' D' ' 50' ' ' MET . 79.4 mt -63.35 -42.72 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-O 121.411 0.624 . . . . 0.0 109.745 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.29 -44.66 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.044 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' B' ' 48' ' ' ILE . 52.4 mtt -63.81 -39.71 94.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -38.04 89.61 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.655 179.741 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.67 -23.83 66.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.87 -9.24 23.09 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.66 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.34 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -61.25 -39.35 90.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.466 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.69 -42.04 87.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.684 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.472 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.3 mp -62.18 -40.29 95.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 8' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' D' ' 11' ' ' ALA . 28.3 m -61.6 -44.81 96.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.34 -38.61 90.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.682 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -61.88 -33.06 73.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' D' ' 8' ' ' THR . . . -66.21 -38.51 88.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.393 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -61.52 -42.78 95.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.61 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -61.65 -39.32 90.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.68 -41.05 98.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.72 65.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.51 -59.72 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -71.41 -32.24 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.72 -4.16 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.408 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -138.83 18.73 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.063 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.67 166.78 40.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.988 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -67.07 -18.99 51.82 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.709 1.606 . . . . 0.0 110.645 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -62.53 -49.41 75.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.708 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' GLN . . . . . 0.408 HE22 ' CG ' ' E' ' 26' ' ' GLN . 85.1 mt-30 -144.21 151.21 39.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' D' ' 28' ' ' LEU . . . -144.02 -67.23 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -61.57 -40.93 96.49 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.54 0.525 . . . . 0.0 111.959 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.406 ' CG ' HE22 ' C' ' 23' ' ' GLN . 21.4 mt-30 -63.08 -37.73 88.38 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.059 0.457 . . . . 0.0 110.057 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -62.48 -35.65 80.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.158 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 24' ' ' ALA . 16.5 mt -62.88 -43.04 99.86 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.43 -38.95 91.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.009 -1.45 . . . . 0.0 108.599 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -64.55 -50.01 69.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -42.94 96.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.782 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 21.5 t80 -59.65 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.665 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.97 -43.79 97.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.06 -48.1 83.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 95.5 m -64.57 -38.15 90.0 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' E' ' 36' ' ' CYS . 22.4 mt -59.9 -41.74 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' D' ' 38' ' ' ILE . 29.3 mm -63.94 -43.12 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.32 -42.38 99.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.681 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 32.6 mm -63.04 -43.15 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.47 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.213 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.73 -42.81 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.73 -39.67 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.854 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.25 -42.63 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -60.72 -39.39 88.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.592 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.97 -42.44 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.82 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' E' ' 50' ' ' MET . 79.5 mt -63.47 -42.87 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.19 -44.45 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.593 ' SD ' HG23 ' C' ' 48' ' ' ILE . 52.0 mtt -63.9 -39.7 94.79 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.845 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.89 -38.33 90.68 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.643 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.64 -23.68 66.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.06 -9.23 22.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.13 -28.65 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.22 -39.06 88.85 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -66.93 -42.15 85.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.67 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.475 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.3 mp -62.25 -39.98 94.67 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' E' ' 11' ' ' ALA . 29.6 m -61.61 -44.75 96.41 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.62 -39.21 93.06 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -61.24 -33.18 73.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 11' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' E' ' 8' ' ' THR . . . -66.15 -38.39 87.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.402 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.57 -42.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.657 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.63 -39.51 91.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.693 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.32 -41.44 98.92 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.28 65.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.8 -60.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 17' ' ' THR . . . . . 0.405 HG23 ' H ' ' E' ' 17' ' ' THR . 2.1 p -71.09 -31.78 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.13 -4.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.374 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -138.87 18.79 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.72 166.71 40.66 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.01 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.96 -18.96 52.46 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.645 1.563 . . . . 0.0 110.835 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -62.51 -49.78 74.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.698 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 23' ' ' GLN . . . . . 0.41 HE22 ' CG ' ' A' ' 26' ' ' GLN . 84.9 mt-30 -143.83 151.25 39.67 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.121 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' E' ' 28' ' ' LEU . . . -144.07 -67.1 0.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -61.83 -40.35 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.518 0.511 . . . . 0.0 111.932 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.408 ' CG ' HE22 ' D' ' 23' ' ' GLN . 22.0 mt-30 -63.48 -37.77 88.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.042 0.449 . . . . 0.0 109.996 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -62.45 -35.31 78.89 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.401 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 17.0 mt -63.26 -42.87 99.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.6 -38.98 92.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -64.48 -50.07 68.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.709 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.3 -43.01 96.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.8 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.496 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 21.8 t80 -59.45 -49.48 77.64 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.6 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.217 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.98 -48.12 83.29 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.34 -42.39 99.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.501 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -64.53 -38.34 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 36' ' ' CYS . 22.0 mt -59.85 -41.97 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -63.75 -43.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.04 -43.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.17 -42.59 99.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.428 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.78 -41.57 99.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.58 -42.75 99.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.69 -39.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.693 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.01 -42.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.7 m -60.65 -39.61 88.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.87 -42.44 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.582 HG23 ' SD ' ' A' ' 50' ' ' MET . 79.2 mt -63.32 -42.88 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 109.676 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.29 -44.31 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.22 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' D' ' 48' ' ' ILE . 51.8 mtt -63.98 -39.83 95.01 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.791 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.73 -38.35 90.78 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.737 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.43 -43.93 8.14 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.95 -44.34 85.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.94 0.876 . . . . 0.0 109.737 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -61.97 -24.77 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 113.932 -1.485 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -65.91 -38.6 89.14 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.19 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 31.7 m-85 -65.11 -42.28 94.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.7 mp -62.86 -43.24 99.32 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 89.4 m -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -64.0 -39.86 95.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.504 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -61.48 -32.33 72.33 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -65.03 -41.72 95.02 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.93 -43.18 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.212 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.36 -43.94 98.02 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.181 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 18' ' ' ILE . 71.5 ttp85 -65.15 -44.56 88.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.045 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.16 82.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.964 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.6 p -79.49 -26.56 41.59 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -44.47 63.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.251 -1.34 . . . . 0.0 112.36 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 14' ' ' ARG . 39.3 pt -68.39 -9.79 11.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.78 0.324 . . . . 0.0 111.005 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -129.35 14.12 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.5 tpp -55.2 125.68 58.7 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.454 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.27 -157.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.277 1.985 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.556 ' HA ' HD21 ' A' ' 28' ' ' LEU . 98.3 mt-30 -72.5 62.77 0.55 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.173 0.511 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.67 -40.47 84.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.486 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.67 155.65 1.35 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.339 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.66 ' HE ' HE21 ' E' ' 26' ' ' GLN . 92.4 mtm-85 -56.35 -32.4 64.67 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.681 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -65.89 -43.14 89.16 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.035 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -62.08 -50.25 72.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.622 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 22' ' ' GLN . 23.2 mt -61.45 -43.21 99.27 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 109.029 -0.73 . . . . 1.9 109.029 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' A' ' 33' ' ' ILE . 7.3 tt0 -56.56 -37.94 71.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.832 -1.531 . . . . 2.38 108.924 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.12 -41.29 90.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 2.49 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.64 -48.14 70.36 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 119.689 -0.804 . . . . 2.44 111.306 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.92 -55.6 32.87 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.163 -0.615 . . . . 2.62 109.903 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 37' ' ' LEU . 88.5 mt -61.15 -44.72 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.883 -0.599 . . . . 2.34 112.331 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.75 -49.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 119.241 -0.984 . . . . 2.24 110.01 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' ILE . 12.1 m-30 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.185 -0.606 . . . . 2.59 110.608 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -66.41 -37.61 85.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.223 -0.591 . . . . 2.33 110.746 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 33' ' ' ILE . 21.9 mt -63.45 -40.09 96.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.149 -0.478 . . . . 2.02 109.871 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 22.9 mt -63.22 -43.74 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 108.477 -0.935 . . . . 2.29 108.477 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.2 -41.31 96.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 2.35 110.122 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 37' ' ' LEU . 24.7 mt -63.64 -43.56 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 109.437 -0.579 . . . . 2.31 109.437 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.71 -45.21 94.94 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.73 -0.841 . . . . 2.37 108.73 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.69 -42.23 98.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.761 -0.459 . . . . 2.22 109.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' E' ' 44' ' ' LEU . 19.2 mt -60.39 -42.34 95.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.384 -0.599 . . . . 2.28 109.384 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' B' ' 43' ' ' LEU . 13.0 mt -63.82 -41.17 97.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.35 0.595 . . . . 2.49 109.654 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 2.42 109.588 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.3 -36.91 81.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.394 -0.821 . . . . 2.37 109.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.26 -40.5 88.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.628 -0.714 . . . . 2.37 110.588 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.2 -42.21 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 108.872 -0.788 . . . . 2.44 108.872 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.83 -45.97 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.539 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -62.68 -40.75 98.06 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.911 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.96 -42.25 94.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.068 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.48 -43.71 8.22 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.33 -43.91 84.8 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.896 0.855 . . . . 0.0 109.832 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.25 -24.7 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 110.224 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 0.9 OUTLIER -66.1 -38.76 89.03 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.403 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 31.7 m-85 -64.82 -42.16 95.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.47 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.7 mp -63.97 -40.84 97.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 82.8 m -61.72 -43.88 98.0 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -63.94 -40.07 95.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.612 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 p -63.08 -28.81 70.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 8' ' ' THR . . . -67.74 -41.05 84.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -65.88 -42.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.059 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -61.29 -43.79 98.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.019 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.456 ' O ' HG23 ' B' ' 18' ' ' ILE . 71.5 ttp85 -65.76 -43.56 88.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.233 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.016 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -79.53 -26.56 41.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -44.76 62.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.345 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.456 HG23 ' O ' ' B' ' 14' ' ' ARG . 39.6 pt -68.47 -9.81 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.596 0.236 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -128.93 13.84 6.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 24.0 tpp -54.94 125.66 56.82 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.24 -156.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.261 1.974 . . . . 0.0 111.274 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLN . . . . . 0.561 ' HA ' HD21 ' B' ' 28' ' ' LEU . 98.4 mt-30 -72.74 62.98 0.6 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.279 0.561 . . . . 0.0 111.068 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.05 -40.26 82.86 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.439 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.74 155.43 1.3 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -56.27 -32.36 64.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.46 -43.63 89.73 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.702 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.86 -45.5 92.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' B' ' 22' ' ' GLN . 23.0 mt -65.49 -42.89 91.69 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' B' ' 33' ' ' ILE . 54.7 tt0 -56.81 -37.96 71.91 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.556 -1.656 . . . . 0.0 108.781 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -65.89 -43.02 89.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.626 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.45 -44.82 86.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.078 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.62 -50.96 69.15 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.48 HG22 HD12 ' B' ' 37' ' ' LEU . 85.4 mt -64.63 -44.31 96.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.04 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.7 -47.33 81.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.411 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' B' ' 38' ' ' ILE . 12.6 m-30 -60.86 -42.77 98.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.119 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 99.1 m -66.46 -38.43 87.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.677 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.48 HD12 HG22 ' B' ' 33' ' ' ILE . 22.6 mt -62.46 -40.23 95.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' B' ' 35' ' ' PHE . 24.1 mt -63.15 -42.91 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.878 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.2 mt -63.61 -43.6 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.65 -43.49 98.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.85 -40.84 98.7 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.742 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 44' ' ' LEU . 18.1 mt -62.3 -42.09 99.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.473 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.2 mt -64.01 -41.7 97.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.547 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.82 -43.62 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.632 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.15 -37.18 81.92 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.721 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.52 -42.78 96.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.195 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.05 -42.26 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -44.5 98.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.026 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.7 mmm -63.91 -41.25 97.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.586 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.68 -42.4 95.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.56 -43.6 8.24 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.019 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.35 -43.69 85.32 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.848 0.832 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.48 -24.73 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-N 113.971 -1.468 . . . . 0.0 110.147 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -38.82 89.6 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -64.76 -42.34 95.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.464 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.6 mp -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' C' ' 11' ' ' ALA . 83.5 m -61.65 -43.79 98.2 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.78 -40.35 96.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.507 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 1.7 p -62.75 -29.04 70.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' C' ' 8' ' ' THR . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.25 -42.74 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.54 -43.77 98.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.925 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.463 ' O ' HG23 ' C' ' 18' ' ' ILE . 71.5 ttp85 -65.69 -43.45 89.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.214 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.92 83.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.99 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -79.4 -26.7 41.88 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -44.65 63.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.362 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.463 HG23 ' O ' ' C' ' 14' ' ' ARG . 39.3 pt -68.41 -10.16 12.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.96 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -128.79 14.09 6.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.725 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 24.0 tpp -55.0 125.61 57.13 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.618 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.26 -156.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.295 1.996 . . . . 0.0 111.418 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' C' ' 28' ' ' LEU . 98.6 mt-30 -72.99 63.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.192 0.52 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -67.94 -40.47 83.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.399 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 156.02 1.41 Allowed 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -56.99 -32.43 66.09 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.578 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.686 HE21 ' HE ' ' D' ' 25' ' ' ARG . 10.5 mt-30 -65.22 -43.7 90.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.666 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.97 -45.32 92.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' C' ' 22' ' ' GLN . 22.5 mt -65.48 -43.05 91.46 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' C' ' 33' ' ' ILE . 7.4 tt0 -56.62 -37.81 71.22 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.808 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.06 -42.65 89.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.775 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.79 -44.94 84.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.051 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.65 -50.84 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.616 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.492 HG22 HD12 ' C' ' 37' ' ' LEU . 85.1 mt -64.81 -44.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.851 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.57 -46.95 83.51 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' C' ' 38' ' ' ILE . 12.5 m-30 -61.14 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.023 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -66.28 -38.52 88.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.805 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.492 HD12 HG22 ' C' ' 33' ' ' ILE . 22.2 mt -62.57 -40.12 95.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.033 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' C' ' 35' ' ' PHE . 23.4 mt -63.33 -42.76 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' C' ' 37' ' ' LEU . 24.6 mt -63.75 -43.27 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.65 -43.58 98.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.301 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.92 -40.84 98.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.0 mt -62.28 -41.99 98.96 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.2 mt -63.83 -41.76 97.76 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.672 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.95 -43.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.591 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.54 -36.99 82.16 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.646 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.7 -42.51 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.84 -42.4 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.76 -44.61 98.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.125 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.77 -41.25 98.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.519 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.78 -42.48 95.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.66 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.51 -43.71 8.21 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.26 -43.9 85.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.897 0.856 . . . . 0.0 109.776 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.3 -24.84 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.076 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 0.9 OUTLIER -65.97 -38.79 89.45 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 31.2 m-85 -64.7 -42.27 95.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.469 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.7 mp -63.95 -40.85 97.38 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 8' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' D' ' 11' ' ' ALA . 83.2 m -61.59 -43.83 98.14 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.539 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -62.98 -28.84 70.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' D' ' 8' ' ' THR . . . -67.94 -40.76 83.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.19 -42.71 91.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.041 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.53 -43.83 98.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.454 ' O ' HG23 ' D' ' 18' ' ' ILE . 71.5 ttp85 -65.78 -43.36 89.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.122 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.36 84.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.996 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -79.24 -26.78 42.41 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -44.82 63.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.443 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.454 HG23 ' O ' ' D' ' 14' ' ' ARG . 39.0 pt -68.3 -9.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.967 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.98 14.04 6.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 24.2 tpp -55.06 125.49 57.18 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.06 -156.57 0.05 OUTLIER 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.385 2.057 . . . . 0.0 111.302 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' GLN . . . . . 0.55 ' HA ' HD21 ' D' ' 28' ' ' LEU . 98.5 mt-30 -72.98 62.91 0.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -67.8 -40.63 83.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.432 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.5 155.79 1.44 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.686 ' HE ' HE21 ' C' ' 26' ' ' GLN . 92.0 mtm-85 -56.72 -32.34 65.42 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.607 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.13 -43.96 90.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' D' ' 22' ' ' GLN . 23.6 mt -65.77 -42.93 90.26 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' D' ' 33' ' ' ILE . 7.4 tt0 -56.53 -37.89 71.1 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.86 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.94 -42.9 89.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.75 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.71 -44.8 84.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.998 -0.681 . . . . 0.0 112.047 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.79 -50.93 69.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.593 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.482 HG22 HD12 ' D' ' 37' ' ' LEU . 85.6 mt -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.938 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.82 -46.93 82.87 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.432 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.407 ' HA ' HD12 ' D' ' 38' ' ' ILE . 12.5 m-30 -61.03 -43.17 99.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 99.2 m -66.22 -38.85 88.92 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.712 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.482 HD12 HG22 ' D' ' 33' ' ' ILE . 21.6 mt -62.4 -40.08 95.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.939 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 38' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' D' ' 35' ' ' PHE . 23.6 mt -63.33 -42.85 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.75 -41.53 97.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.76 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' D' ' 37' ' ' LEU . 24.6 mt -63.52 -43.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.147 0.499 . . . . 0.0 109.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 95.2 m -62.46 -43.67 98.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.334 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.84 -40.99 99.14 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.3 mt -62.09 -42.21 98.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.2 mt -63.7 -41.75 98.06 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.726 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.86 -43.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.692 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.18 -37.3 82.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.741 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.36 -42.82 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.62 -42.62 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.617 0.722 . . . . 0.0 109.126 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.77 -44.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.098 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -63.85 -41.26 97.83 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.505 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.77 -42.38 95.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.574 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.91 -43.75 8.04 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.28 -43.77 85.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.853 0.835 . . . . 0.0 109.874 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.32 -24.75 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.082 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 0.9 OUTLIER -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 31.2 m-85 -64.91 -42.15 94.99 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.464 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -63.97 -40.94 97.54 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' E' ' 11' ' ' ALA . 82.4 m -61.63 -43.68 98.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -63.91 -40.01 95.5 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.519 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -62.98 -28.89 70.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.28 0.562 . . . . 0.0 109.518 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 11' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' E' ' 8' ' ' THR . . . -67.75 -40.74 84.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -66.31 -42.91 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.021 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -61.4 -43.84 98.18 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.097 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' E' ' 18' ' ' ILE . 71.6 ttp85 -65.78 -43.45 88.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.158 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.87 83.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.84 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -79.59 -26.47 41.25 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -44.77 63.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.464 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.459 HG23 ' O ' ' E' ' 14' ' ' ARG . 39.6 pt -68.32 -9.68 11.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.17 14.19 6.19 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 24.1 tpp -55.14 125.47 57.61 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.71 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.08 -156.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.281 1.987 . . . . 0.0 111.394 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 22' ' ' GLN . . . . . 0.552 ' HA ' HD21 ' E' ' 28' ' ' LEU . 98.3 mt-30 -72.97 63.06 0.64 Allowed 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.261 0.553 . . . . 0.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.18 -40.33 82.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.402 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.66 155.71 1.36 Allowed 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -56.77 -32.45 65.63 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.66 HE21 ' HE ' ' A' ' 25' ' ' ARG . 10.4 mt-30 -65.06 -43.69 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.888 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.12 -45.21 93.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' E' ' 22' ' ' GLN . 23.7 mt -65.51 -42.97 91.51 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' E' ' 33' ' ' ILE . 54.8 tt0 -56.67 -37.91 71.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.94 -42.9 89.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.622 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -44.73 85.39 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.084 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.71 -50.95 69.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.535 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 33' ' ' ILE . . . . . 0.488 HG22 HD12 ' E' ' 37' ' ' LEU . 85.9 mt -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.93 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.75 -46.98 82.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.465 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.424 ' HA ' HD12 ' E' ' 38' ' ' ILE . 12.5 m-30 -61.0 -43.06 99.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.19 -38.73 88.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.488 HD12 HG22 ' E' ' 33' ' ' ILE . 22.6 mt -62.5 -39.92 95.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 38' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' E' ' 35' ' ' PHE . 23.8 mt -63.58 -42.75 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.94 -41.19 97.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.914 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' E' ' 37' ' ' LEU . 25.3 mt -63.85 -43.47 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 97.3 m -62.61 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.9 -40.9 98.97 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' D' ' 44' ' ' LEU . 18.2 mt -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' A' ' 43' ' ' LEU . 13.3 mt -63.98 -41.63 97.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.535 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.96 -43.57 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.21 -37.34 82.64 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.824 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.27 -42.79 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.105 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.96 -42.57 96.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.63 -44.59 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.98 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.87 -41.08 97.84 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.512 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.88 -42.07 95.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.471 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.517 ' O ' HG12 ' A' ' 4' ' ' VAL . 44.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.31 -2.46 28.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.46 -38.98 93.23 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.624 0.726 . . . . 0.0 109.082 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 1' ' ' MET . 8.3 p -56.59 -27.86 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.435 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.07 -37.44 87.46 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.052 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.13 -44.84 78.82 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.689 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.0 mp -61.71 -41.32 97.45 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 m -60.54 -45.74 92.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . 73.3 ttt180 -60.33 -42.98 96.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.695 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -59.94 -34.06 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.469 0.652 . . . . 0.0 109.366 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.38 82.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.095 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.5 mt -64.43 -42.04 94.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.536 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.444 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 99.7 mtt180 -60.24 -42.94 96.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.686 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.46 -40.74 89.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.108 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.49 80.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t -60.48 -42.29 95.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.616 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -81.17 -26.27 36.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.421 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -26.16 25.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.084 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.31 5.53 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.826 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.7 ttm -49.91 113.38 3.35 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.14 164.52 29.26 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.201 1.934 . . . . 0.0 110.472 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.73 100.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.02 -42.94 93.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.274 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.29 166.38 8.74 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -59.5 -32.96 70.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 0.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.7 -40.37 96.63 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.742 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.32 -43.8 96.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.65 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 13.5 mt -61.24 -42.93 99.46 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.858 -0.793 . . . . 2.17 108.858 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.63 -38.98 92.34 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 113.875 -1.511 . . . . 2.61 108.168 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.63 -47.86 81.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.909 -0.587 . . . . 2.2 110.578 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.13 -45.18 89.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.489 -0.485 . . . . 2.27 111.167 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.75 -52.78 64.06 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.819 -0.753 . . . . 2.55 109.241 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.7 -0.4 . . . . 2.28 111.492 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -58.29 -52.43 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.378 -0.529 . . . . 2.38 110.259 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -59.33 -42.89 92.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.958 -0.564 . . . . 2.55 110.293 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.555 ' HB3' HD22 ' E' ' 37' ' ' LEU . 20.8 m -64.44 -38.98 92.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.275 -0.57 . . . . 2.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 36' ' ' CYS . 19.7 mt -61.83 -41.94 98.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.582 -0.525 . . . . 2.21 109.582 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -64.26 -44.32 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 115.727 -0.67 . . . . 2.54 109.342 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.01 -41.2 99.5 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.335 -0.393 . . . . 2.23 110.509 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.65 -43.12 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.871 -0.789 . . . . 2.21 108.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -62.52 -41.43 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.133 -0.94 . . . . 2.35 109.113 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.4 mt -62.44 -42.75 99.68 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.782 -0.367 . . . . 2.17 110.106 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.79 -41.74 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.726 -0.472 . . . . 2.3 109.726 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.69 -40.83 98.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.017 -0.735 . . . . 2.45 109.017 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.1 mt -64.94 -42.86 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 2.21 109.283 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.66 -34.95 78.14 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.645 -0.707 . . . . 2.27 109.799 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' E' ' 48' ' ' ILE . 12.5 mt -66.68 -40.21 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-O 121.33 0.586 . . . . 2.4 110.663 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.0 mt -66.95 -42.42 88.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.124 -0.944 . . . . 2.18 110.118 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.84 -48.18 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.263 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.43 ' HB3' HD22 ' E' ' 52' ' ' LEU . 81.1 mmm -62.81 -46.94 85.61 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.229 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.06 -39.39 79.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.691 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.761 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.512 ' O ' HG12 ' B' ' 4' ' ' VAL . 44.6 ttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -75.19 -2.92 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.066 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.91 -36.62 84.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.512 HG12 ' O ' ' B' ' 1' ' ' MET . 8.9 p -58.75 -27.39 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.473 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.39 -37.04 86.12 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.267 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.05 -43.2 79.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.808 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.9 mp -62.95 -41.62 99.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.542 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 71.1 m -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' B' ' 12' ' ' ILE . 73.3 ttt180 -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.314 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.16 -33.97 72.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.292 0.568 . . . . 0.0 109.591 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.14 82.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.025 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.9 mt -64.56 -42.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.366 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.435 HH21 ' CZ ' ' B' ' 9' ' ' ARG . 99.7 mtt180 -60.29 -42.55 95.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.71 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.76 -40.87 88.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.982 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.1 t -60.61 -42.53 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.503 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.2 t -80.69 -26.23 37.65 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.741 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -25.76 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.078 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.92 5.73 28.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.825 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 ttm -50.32 113.34 3.46 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.051 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.08 164.35 29.63 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.255 1.97 . . . . 0.0 110.56 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.51 100.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -65.17 -42.21 93.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.455 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.78 166.77 7.81 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -60.29 -32.81 71.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.71 -40.04 95.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.86 -39.25 91.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.05 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.88 -43.27 93.46 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.02 -35.27 79.66 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.966 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -65.08 -48.52 73.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.692 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.56 -43.43 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.628 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 9.3 t80 -60.1 -49.53 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.939 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -43.32 94.84 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.619 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -60.85 -49.52 77.15 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.45 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.41 99.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' A' ' 37' ' ' LEU . 20.8 m -64.16 -39.68 94.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' C' ' 36' ' ' CYS . 20.5 mt -61.19 -42.0 97.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -64.27 -43.65 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.48 -40.79 98.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.96 -43.52 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.71 -41.32 99.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.555 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' B' ' 45' ' ' ILE . 31.5 mt -62.06 -41.72 98.44 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.3 -41.65 98.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.0 -41.34 99.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.9 mt -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.38 -35.86 78.66 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.858 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' CG1' ' A' ' 48' ' ' ILE . 12.8 mt -65.42 -43.34 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.109 0.481 . . . . 0.0 109.921 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.417 ' CG1' HG13 ' C' ' 47' ' ' ILE . 75.4 mt -64.28 -43.21 97.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.147 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.22 -46.66 80.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.856 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 80.9 mmm -63.42 -47.72 80.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.713 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.07 -39.21 79.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.959 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.714 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.504 ' O ' HG12 ' C' ' 4' ' ' VAL . 44.6 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -75.35 -2.85 30.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.91 -36.91 85.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.438 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.504 HG12 ' O ' ' C' ' 1' ' ' MET . 8.8 p -58.6 -27.21 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.52 -37.07 86.26 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.196 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -67.92 -43.32 79.49 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.799 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.461 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.9 mp -62.74 -41.78 99.35 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.55 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 72.1 m -61.12 -42.89 99.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.575 ' HA ' HD12 ' C' ' 12' ' ' ILE . 73.8 ttt180 -62.68 -42.9 99.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.334 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.28 -33.81 72.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.351 0.596 . . . . 0.0 109.592 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.3 81.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.095 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.6 mt -64.45 -42.2 94.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.589 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ARG . . . . . 0.45 HH21 ' CZ ' ' C' ' 9' ' ' ARG . 99.7 mtt180 -60.16 -42.85 95.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.43 -41.03 89.78 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.954 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.72 81.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -60.48 -42.56 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.503 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.67 -26.45 37.59 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.689 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -25.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.194 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.83 5.56 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.771 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 11.9 ttm -50.27 113.44 3.53 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.099 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.15 164.31 29.5 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.331 2.02 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.39 100.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.35 -42.54 92.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.343 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.56 166.51 8.23 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -60.04 -32.9 71.34 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.405 0.441 . . . . 0.0 109.995 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.63 -40.05 95.91 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.76 -39.49 91.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.942 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.71 -43.15 94.36 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.17 -35.45 80.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.693 -1.594 . . . . 0.0 109.051 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.88 -48.65 73.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.51 -43.33 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.688 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' PHE . . . . . 0.403 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 9.0 t80 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.923 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.38 -43.56 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.53 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -60.84 -49.5 77.21 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.429 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -62.52 -42.42 99.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' B' ' 37' ' ' LEU . 20.0 m -64.2 -39.64 94.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' D' ' 36' ' ' CYS . 20.3 mt -60.97 -41.95 97.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.25 -41.04 99.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.93 -43.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.78 -41.23 99.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.457 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' C' ' 45' ' ' ILE . 31.6 mt -62.1 -41.97 98.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.161 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.19 -41.61 99.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.01 -41.32 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.0 mt -64.46 -43.66 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.47 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.417 HG13 ' CG1' ' B' ' 48' ' ' ILE . 12.3 mt -65.86 -43.21 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-O 121.085 0.469 . . . . 0.0 109.956 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.405 ' CG1' HG13 ' D' ' 47' ' ' ILE . 76.0 mt -64.33 -43.15 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.17 -46.51 81.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.893 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.435 ' HB3' HD13 ' B' ' 52' ' ' LEU . 80.5 mmm -63.54 -47.47 81.47 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.724 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.18 -39.39 78.74 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.961 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.61 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.51 ' O ' HG12 ' D' ' 4' ' ' VAL . 44.6 ttp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -75.67 -2.64 30.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.42 0.629 . . . . 0.0 109.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.94 -36.94 85.59 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.642 0.734 . . . . 0.0 109.507 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.51 HG12 ' O ' ' D' ' 1' ' ' MET . 8.9 p -58.56 -27.36 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.42 -37.17 86.58 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -67.82 -43.32 79.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.861 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.466 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.9 mp -62.71 -41.76 99.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.625 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.6 m -61.08 -43.15 99.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' D' ' 12' ' ' ILE . 73.4 ttt180 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.405 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -60.22 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.07 82.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.091 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.3 mt -64.54 -42.24 94.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.523 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ARG . . . . . 0.444 HH21 ' CZ ' ' D' ' 9' ' ' ARG . 99.7 mtt180 -60.14 -42.85 95.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.532 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.44 -41.03 89.73 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.032 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.74 81.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -60.45 -42.7 96.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.481 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.57 -26.49 37.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -25.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.129 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.66 5.68 29.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -50.26 113.43 3.52 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 164.34 29.65 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.179 1.919 . . . . 0.0 110.61 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.36 100.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.3 -42.73 92.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.417 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.34 166.54 8.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -59.92 -33.0 71.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.991 0.424 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.49 -40.0 95.94 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.87 -39.54 92.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 16.1 mt -64.82 -42.97 94.54 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.41 -35.17 79.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.028 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.16 -48.66 72.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.529 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.43 -43.47 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -60.23 -49.29 78.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.895 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.44 -43.62 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -60.69 -49.39 77.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.47 -42.47 99.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.148 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' C' ' 37' ' ' LEU . 20.5 m -64.18 -39.57 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' E' ' 36' ' ' CYS . 20.3 mt -61.16 -41.98 97.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.51 -43.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.88 -43.54 98.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.541 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' D' ' 45' ' ' ILE . 31.2 mt -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.25 -41.59 99.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.1 -41.33 99.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' D' ' 42' ' ' LEU . 24.9 mt -64.53 -43.5 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -61.44 -35.33 77.26 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.405 HG13 ' CG1' ' C' ' 48' ' ' ILE . 12.2 mt -66.01 -43.24 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' E' ' 47' ' ' ILE . 77.0 mt -64.14 -43.23 97.37 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.098 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.34 -46.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.912 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.43 ' HB3' HD13 ' C' ' 52' ' ' LEU . 80.6 mmm -63.75 -47.24 81.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.682 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.25 -39.48 78.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.88 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.511 ' O ' HG12 ' E' ' 4' ' ' VAL . 44.5 ttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.18 -2.97 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.424 0.63 . . . . 0.0 110.051 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.9 -36.75 84.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.476 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.511 HG12 ' O ' ' E' ' 1' ' ' MET . 8.6 p -58.62 -27.22 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.53 -36.94 85.84 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.196 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -68.08 -43.27 78.92 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.819 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.467 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.0 mp -62.74 -41.63 99.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -61.25 -42.95 99.51 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' E' ' 12' ' ' ILE . 73.1 ttt180 -62.81 -42.78 99.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.336 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -34.04 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 0.0 109.515 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.06 -41.26 82.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.1 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.3 mt -64.55 -42.25 94.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.396 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 13' ' ' ARG . . . . . 0.433 HH21 ' CZ ' ' E' ' 9' ' ' ARG . 99.7 mtt180 -60.1 -42.95 95.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.34 -40.93 90.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.042 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.74 81.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -60.36 -42.77 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.533 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.72 -26.35 37.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.561 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -25.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.069 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.88 5.71 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.846 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -50.23 113.28 3.37 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.064 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.97 164.34 29.87 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.186 1.924 . . . . 0.0 110.58 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.34 100.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.22 -42.53 93.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.474 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.43 166.74 8.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -60.32 -32.8 71.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.53 -40.08 96.09 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.88 -39.36 91.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.84 -43.32 93.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.02 -35.2 79.44 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -65.03 -48.57 73.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -43.25 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 32' ' ' PHE . . . . . 0.413 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 9.2 t80 -60.41 -49.39 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.866 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.36 -43.51 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.533 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -60.79 -49.4 77.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.58 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.565 ' HB3' HD22 ' D' ' 37' ' ' LEU . 20.0 m -63.93 -39.76 94.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 36' ' ' CYS . 20.6 mt -61.18 -42.16 98.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.07 -43.73 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.91 98.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.06 -43.59 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.2 m -62.62 -41.43 99.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.554 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' E' ' 45' ' ' ILE . 32.0 mt -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.244 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.38 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.2 mt -64.39 -43.68 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -61.39 -35.61 77.97 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' D' ' 48' ' ' ILE . 12.1 mt -65.5 -43.52 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.02 0.438 . . . . 0.0 110.023 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' A' ' 47' ' ' ILE . 76.7 mt -64.07 -43.09 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.38 -46.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.967 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.426 ' HB3' HD13 ' D' ' 52' ' ' LEU . 80.9 mmm -63.86 -47.24 81.52 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.35 -39.22 78.26 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.936 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.518 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.717 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -95.46 -32.5 12.86 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.212 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.87 -50.17 65.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.077 0.941 . . . . 0.0 108.818 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.01 -26.09 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.771 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -65.8 -36.53 83.78 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.251 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 17.7 m-85 -67.52 -41.96 83.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.9 mp -62.94 -40.57 98.06 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -43.61 98.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.691 ' HA ' HD12 ' A' ' 12' ' ' ILE . 96.7 mtt180 -62.78 -41.34 99.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.704 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -61.71 -34.58 76.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.902 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.2 93.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.731 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.1 mt -64.55 -43.73 96.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.824 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.86 -39.92 95.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.422 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -65.67 -43.77 88.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.54 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.72 68.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.63 -56.96 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.119 0.485 . . . . 0.0 110.3 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -74.15 -30.37 62.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.13 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 pt -75.46 -13.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.34 -15.44 40.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.427 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttt -163.58 60.13 0.87 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.416 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.24 162.84 28.19 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.347 2.032 . . . . 0.0 110.461 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -58.84 -49.07 79.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.966 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.17 -171.08 3.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' H ' HH12 ' B' ' 25' ' ' ARG . . . 60.61 20.23 10.13 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.151 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.462 HH12 ' H ' ' E' ' 24' ' ' ALA . 99.6 mtt180 -56.67 -41.75 77.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -34.4 77.56 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -67.94 -48.4 66.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.121 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 mt -64.62 -42.58 95.41 Favored 'General case' 0 CA--C 1.484 -1.594 0 N-CA-C 108.815 -0.809 . . . . 1.95 108.815 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -56.87 -40.23 75.78 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.586 -1.643 . . . . 1.99 107.795 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -65.59 -37.54 86.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.483 -1.235 . . . . 2.82 111.109 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.72 -48.3 60.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.306 -0.558 . . . . 2.49 110.775 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.56 -42.21 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.533 -0.467 . . . . 2.38 111.602 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.51 -43.62 83.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 2.37 109.919 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.85 -46.21 90.43 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.019 -0.537 . . . . 2.19 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.2 t80 -61.8 -45.28 94.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.018 0.437 . . . . 2.39 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.73 -38.73 92.19 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.803 -0.759 . . . . 2.62 109.827 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -65.4 -36.29 83.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.75 -0.659 . . . . 2.05 109.582 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.04 -42.43 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.918 -1.142 . . . . 1.92 107.918 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.6 mt -58.02 -41.59 83.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.762 -0.829 . . . . 2.45 108.762 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.518 HD11 ' SG ' ' E' ' 41' ' ' CYS . 29.4 mm -62.13 -42.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.874 -0.787 . . . . 2.35 108.874 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' B' ' 40' ' ' ILE . 60.4 m -59.58 -50.2 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.79 -0.641 . . . . 2.22 109.666 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 45' ' ' ILE . 79.2 mt -61.4 -44.15 97.64 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.022 0.439 . . . . 2.45 111.436 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' E' ' 44' ' ' LEU . 41.7 mt -61.36 -42.4 98.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.876 -0.602 . . . . 2.37 110.071 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' LEU . 29.4 mt -62.57 -38.08 88.68 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.557 -0.457 . . . . 2.18 110.0 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.0 mt -60.09 -41.3 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.612 -0.885 . . . . 2.33 108.612 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.7 m -59.4 -38.32 80.26 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.551 -0.537 . . . . 2.28 109.551 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 HG13 ' E' ' 48' ' ' ILE . 46.5 mm -64.69 -41.85 93.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.852 -0.425 . . . . 2.29 109.852 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' B' ' 47' ' ' ILE . 97.4 mt -63.18 -43.68 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 108.447 -0.946 . . . . 2.8 108.447 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.83 -43.19 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.335 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.72 -38.24 90.32 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.49 -42.04 96.09 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.411 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -95.25 -32.85 12.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.273 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.0 -46.84 76.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.088 0.947 . . . . 0.0 109.49 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 m -63.15 -26.18 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.622 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 0.6 OUTLIER -65.7 -36.3 83.22 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.44 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 17.7 m-85 -67.67 -41.96 82.92 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.429 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.8 mp -63.07 -40.37 97.46 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -61.71 -42.52 99.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.689 ' HA ' HD12 ' B' ' 12' ' ' ILE . 96.7 mtt180 -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.388 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.51 -34.61 75.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.967 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.14 93.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.683 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.4 mt -64.53 -43.46 96.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.914 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.91 -39.51 94.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.349 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.302 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.08 67.76 1.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.66 -56.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.066 0.46 . . . . 0.0 110.041 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -74.08 -30.7 62.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.105 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 pt -75.42 -13.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.097 0.475 . . . . 0.0 110.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.77 -15.34 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.51 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -163.68 59.96 0.84 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.41 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -78.03 163.0 28.64 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.343 2.029 . . . . 0.0 110.452 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -58.99 -49.26 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.11 -170.91 3.66 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.468 ' H ' HH12 ' C' ' 25' ' ' ARG . . . 60.37 21.11 10.68 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.458 HH12 ' H ' ' A' ' 24' ' ' ALA . 99.6 mtt180 -57.74 -41.4 81.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 0.0 110.549 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -36.98 83.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -66.49 -46.26 76.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.287 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.58 -43.19 90.5 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -57.44 -38.36 74.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.474 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -66.11 -42.06 89.75 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.91 -44.18 85.96 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.47 -46.07 90.16 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.42 -44.02 94.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.629 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.99 -46.56 88.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.3 t80 -60.57 -45.62 93.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.511 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.53 -40.86 98.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.645 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.6 -36.41 83.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.899 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -39.99 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 94.3 mt -60.35 -41.1 92.93 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 41' ' ' CYS . 29.5 mm -61.94 -42.93 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' C' ' 40' ' ' ILE . 60.1 m -59.79 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.018 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' B' ' 45' ' ' ILE . 81.6 mt -61.74 -43.33 99.06 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.412 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 40.4 mt -62.45 -42.52 99.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.419 ' CD1' HG23 ' C' ' 40' ' ' ILE . 28.6 mt -62.56 -37.5 86.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.068 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.6 mt -60.76 -41.29 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.62 -38.15 80.53 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 48' ' ' ILE . 46.8 mm -64.37 -42.59 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' C' ' 47' ' ' ILE . 96.8 mt -62.85 -43.06 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.39 -42.88 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 86.8 mmm -64.84 -38.46 91.05 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.812 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.41 -41.91 96.36 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.421 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.21 -33.06 12.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.296 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -65.92 -46.91 76.55 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.112 0.958 . . . . 0.0 109.469 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.28 -25.97 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.599 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 0.6 OUTLIER -65.62 -36.45 83.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.447 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 6' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' C' ' 5' ' ' GLN . 17.6 m-85 -67.73 -41.87 82.76 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.417 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.0 mp -62.93 -40.64 98.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -61.64 -42.65 99.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.687 ' HA ' HD12 ' C' ' 12' ' ' ILE . 96.7 mtt180 -63.54 -41.74 98.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.322 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -61.42 -34.69 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.053 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -38.99 92.83 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.435 0.636 . . . . 0.0 109.62 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.6 mt -64.61 -43.65 96.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.971 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.1 -39.36 94.48 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -66.86 -39.62 87.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.773 -1.103 . . . . 0.0 113.343 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.95 68.18 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.74 -56.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.212 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 17' ' ' THR . . . . . 0.42 HG23 ' H ' ' C' ' 17' ' ' THR . 1.3 p -74.08 -30.75 62.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.081 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.04 -13.35 15.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.096 0.474 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -86.57 -14.92 41.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.808 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -164.16 59.78 0.77 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.519 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.96 162.86 28.93 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.433 2.089 . . . . 0.0 110.737 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.82 -49.31 78.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.921 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -146.96 -170.72 3.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.473 ' H ' ' NH1' ' D' ' 25' ' ' ARG . . . 60.41 20.6 10.23 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.902 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ARG . . . . . 0.468 HH12 ' H ' ' B' ' 24' ' ' ALA . 99.6 mtt180 -57.12 -41.78 79.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.006 0.431 . . . . 0.0 110.533 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -37.45 85.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.502 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -65.99 -46.34 78.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.345 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.62 -43.1 90.58 Favored 'General case' 0 CA--C 1.488 -1.406 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.54 -38.74 75.21 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.271 -1.786 . . . . 0.0 108.579 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.75 -41.91 91.55 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.114 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.1 85.37 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -62.3 -46.37 89.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.009 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.46 -44.13 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.64 -46.41 89.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.2 t80 -60.86 -46.03 92.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.31 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.02 -40.9 99.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.706 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.51 -36.3 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.61 -40.55 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 95.3 mt -59.74 -41.22 90.46 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.509 HD11 ' SG ' ' B' ' 41' ' ' CYS . 29.8 mm -61.89 -43.01 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' D' ' 40' ' ' ILE . 59.5 m -59.79 -49.44 77.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.054 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' C' ' 45' ' ' ILE . 81.8 mt -61.8 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.384 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 44' ' ' LEU . 41.3 mt -62.64 -42.38 99.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.075 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' C' ' 44' ' ' LEU . 29.0 mt -62.9 -37.19 85.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.144 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.5 mt -60.93 -41.52 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.49 -38.19 80.25 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' B' ' 48' ' ' ILE . 46.9 mm -64.25 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' D' ' 47' ' ' ILE . 96.5 mt -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.35 -42.91 97.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -65.02 -38.58 91.38 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.37 -42.12 96.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.493 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.52 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.9 mmm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.34 -33.02 12.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -65.9 -47.17 75.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 122.178 0.99 . . . . 0.0 109.504 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 13.7 m -62.77 -26.32 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.656 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 0.6 OUTLIER -65.33 -36.86 85.32 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 6' ' ' TYR . . . . . 0.406 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 17.5 m-85 -67.35 -41.79 84.55 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.421 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.9 mp -63.21 -40.3 97.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.0 -42.4 99.11 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.678 ' HA ' HD12 ' D' ' 12' ' ' ILE . 96.7 mtt180 -63.71 -41.64 98.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.283 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -61.52 -34.75 76.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.919 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.45 0.643 . . . . 0.0 109.717 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.3 mt -64.24 -43.69 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.992 -1.003 . . . . 0.0 108.997 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.09 -39.22 94.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -67.17 -39.45 86.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.374 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.93 67.72 1.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.67 -56.62 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.926 0.393 . . . . 0.0 110.161 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.4 HG23 ' H ' ' D' ' 17' ' ' THR . 1.2 p -74.19 -30.36 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.149 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -75.55 -13.16 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.56 -15.22 40.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.501 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttt -163.91 59.83 0.8 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.573 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.91 162.89 29.05 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.36 2.04 . . . . 0.0 110.663 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.68 -49.61 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -146.6 -170.31 3.48 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ALA . . . . . 0.464 ' H ' HH12 ' E' ' 25' ' ' ARG . . . 59.79 21.12 9.95 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.007 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 25' ' ' ARG . . . . . 0.473 ' NH1' ' H ' ' C' ' 24' ' ' ALA . 99.6 mtt180 -57.48 -41.74 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.941 0.4 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -37.31 85.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.402 HD22 ' HG2' ' E' ' 25' ' ' ARG . 29.5 m120 -66.24 -46.24 77.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.65 -43.03 90.66 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -57.72 -38.38 75.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.321 -1.763 . . . . 0.0 108.379 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -66.04 -42.02 90.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.186 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.11 85.35 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -62.38 -46.31 89.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.92 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.41 -43.85 94.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.09 -46.36 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.3 t80 -60.65 -45.86 92.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.384 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -63.55 -40.68 97.63 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.66 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.58 -36.15 82.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.034 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.66 -40.46 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 95.0 mt -59.92 -41.21 91.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.53 HD11 ' SG ' ' C' ' 41' ' ' CYS . 29.2 mm -61.8 -43.04 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' E' ' 40' ' ' ILE . 59.7 m -60.01 -49.35 78.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' D' ' 45' ' ' ILE . 82.3 mt -62.01 -42.95 99.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.34 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.7 -42.33 99.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.076 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' E' ' 40' ' ' ILE . 28.0 mt -62.81 -37.2 85.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.162 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' D' ' 42' ' ' LEU . 25.1 mt -60.89 -41.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.51 -38.4 80.86 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' C' ' 48' ' ' ILE . 46.6 mm -64.03 -42.65 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' E' ' 47' ' ' ILE . 95.9 mt -62.8 -42.79 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.64 -42.92 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.92 -38.44 90.96 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.22 -42.17 96.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.492 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -95.24 -32.86 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.246 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -66.1 -46.89 76.03 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.06 0.933 . . . . 0.0 109.546 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 m -63.23 -26.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.544 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 0.6 OUTLIER -65.64 -36.54 83.98 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.376 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 6' ' ' TYR . . . . . 0.409 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 17.7 m-85 -67.65 -41.99 82.94 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.8 mp -62.84 -40.49 97.6 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -61.55 -42.41 98.8 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.69 ' HA ' HD12 ' E' ' 12' ' ' ILE . 96.6 mtt180 -64.11 -41.35 97.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.324 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.56 -34.92 76.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.973 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.14 93.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.7 mt -64.54 -43.73 96.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.838 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.92 -39.23 93.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -67.09 -39.39 86.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.304 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.15 68.06 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.88 -56.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -74.25 -30.33 62.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 pt -75.5 -13.41 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.179 0.514 . . . . 0.0 110.044 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.24 -15.52 40.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.487 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -163.65 59.96 0.84 Allowed Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.389 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.97 162.84 28.92 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.349 2.033 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.71 -49.33 77.98 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.978 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -146.9 -170.73 3.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 24' ' ' ALA . . . . . 0.462 ' H ' HH12 ' A' ' 25' ' ' ARG . . . 60.04 21.12 10.27 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.845 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 25' ' ' ARG . . . . . 0.464 HH12 ' H ' ' D' ' 24' ' ' ALA . 99.6 mtt180 -57.58 -41.71 81.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.049 0.452 . . . . 0.0 110.453 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -37.32 85.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.5 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -66.23 -46.05 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.376 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -42.75 89.83 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -57.63 -38.65 75.35 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.406 -1.724 . . . . 0.0 108.441 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.7 -44.24 86.76 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.18 -46.49 88.72 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.949 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.3 -44.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.566 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.672 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.2 t80 -60.74 -45.67 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.309 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.57 -40.86 98.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.668 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.62 -36.49 84.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.22 -40.13 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 95.0 mt -60.37 -41.1 93.02 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.528 HD11 ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.79 -42.95 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.518 ' SG ' HD11 ' A' ' 40' ' ' ILE . 60.0 m -60.06 -49.24 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.049 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' E' ' 45' ' ' ILE . 80.7 mt -61.8 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.159 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 44' ' ' LEU . 40.6 mt -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.976 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' E' ' 44' ' ' LEU . 27.9 mt -62.58 -37.44 86.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' E' ' 42' ' ' LEU . 24.8 mt -60.89 -41.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.64 -38.11 80.51 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 47' ' ' ILE . . . . . 0.425 HD11 HG13 ' D' ' 48' ' ' ILE . 46.9 mm -64.38 -42.69 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 47' ' ' ILE . 97.6 mt -62.66 -43.11 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.37 -42.89 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.277 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -64.87 -38.5 91.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.26 -41.93 96.71 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.357 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -77.36 -8.39 57.6 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.7 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.27 -35.69 79.76 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 1' ' ' MET . 5.8 m -59.94 -26.55 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.329 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.03 -37.28 81.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.239 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -62.31 -52.29 64.26 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.7 mp -56.81 -40.61 76.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.322 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -50.33 74.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 12' ' ' ILE . 88.2 mtm180 -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.861 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -64.13 -33.03 74.85 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.825 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.71 89.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.978 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 9' ' ' ARG . 22.9 mt -63.31 -42.24 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.473 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.85 -44.87 94.97 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -56.27 -48.6 76.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.1 68.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 -21.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.071 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -123.45 -22.95 4.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.481 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 pt -72.78 -5.94 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.343 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.45 -4.14 32.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.333 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.431 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 56.0 mtt -58.81 -45.61 99.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.277 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 20' ' ' MET . 22.2 Cg_exo -57.71 147.67 78.83 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.61 1.54 . . . . 0.0 111.886 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -65.54 -39.79 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 0.0 109.695 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -91.8 19.42 6.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.612 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -48.47 69.66 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.67 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -50.99 -40.36 57.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.407 HE22 ' HB2' ' B' ' 26' ' ' GLN . 59.1 tt0 -66.17 -44.24 84.6 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.992 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.68 -47.73 82.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.79 -42.06 97.81 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 108.425 -0.954 . . . . 2.21 108.425 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.49 -41.43 80.7 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.651 -1.613 . . . . 2.05 107.854 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -43.06 99.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.304 -0.862 . . . . 2.47 110.041 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.11 -45.61 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.338 -0.545 . . . . 2.46 111.866 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -59.37 -52.98 63.3 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.099 -0.64 . . . . 2.51 109.825 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.95 -45.33 98.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.877 -0.601 . . . . 2.41 112.147 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.65 -48.07 80.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.056 -0.658 . . . . 2.27 109.97 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -60.72 -43.31 98.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.719 0.295 . . . . 2.33 110.759 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 2.6 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.224 0.535 . . . . 2.43 110.427 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' B' ' 36' ' ' CYS . 31.4 mt -64.02 -40.69 96.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.312 -0.858 . . . . 2.3 109.798 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.49 -45.54 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.777 -0.823 . . . . 2.06 108.777 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 mt -58.08 -41.84 84.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 2.23 109.846 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.8 mt -63.61 -43.54 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.423 -0.511 . . . . 2.44 109.683 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.4 m -60.32 -47.56 85.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.546 -0.909 . . . . 2.39 108.546 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -59.97 -43.35 95.14 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.782 0.325 . . . . 2.18 110.277 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' E' ' 44' ' ' LEU . 45.1 mt -59.0 -42.13 89.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.739 -0.664 . . . . 2.29 109.266 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' HD13 ' B' ' 43' ' ' LEU . 55.1 mt -65.34 -42.28 93.04 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.272 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.69 -47.67 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.27 -0.641 . . . . 2.47 109.27 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -58.17 -43.72 87.59 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.756 -0.656 . . . . 2.55 109.928 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.71 -38.23 82.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.979 -0.555 . . . . 2.2 110.629 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.534 ' O ' HD13 ' A' ' 52' ' ' LEU . 17.6 mt -62.88 -45.17 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 108.869 -0.789 . . . . 2.31 108.869 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.33 -45.55 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.721 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.808 ' SD ' HD11 ' E' ' 52' ' ' LEU . 74.1 mtm -64.37 -42.23 96.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.079 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -73.33 -28.05 61.85 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.804 HD11 ' SD ' ' B' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.53 -1.224 . . . . 0.0 109.183 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.468 ' O ' HG22 ' B' ' 4' ' ' VAL . 97.3 mtp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -77.62 -9.3 58.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.68 -35.26 77.47 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.468 HG22 ' O ' ' B' ' 1' ' ' MET . 5.9 m -60.2 -26.57 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.94 -37.08 81.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.406 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -63.41 -46.23 87.36 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.453 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.6 mp -62.31 -40.65 96.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.062 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 70.6 m -61.78 -44.75 96.26 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.629 ' HA ' HD12 ' B' ' 12' ' ' ILE . 87.4 mtm180 -65.33 -41.77 93.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.306 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -64.26 -32.63 74.29 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.25 87.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.183 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.2 mt -63.17 -42.65 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.321 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.07 -40.3 95.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -60.17 -46.34 90.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.3 69.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.936 -0.705 . . . . 0.0 112.49 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 -22.05 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.869 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -123.49 -22.93 4.9 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.445 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 pt -72.82 -6.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.434 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.37 -4.12 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.469 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' MET . . . . . 0.433 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 56.2 mtt -58.89 -45.44 99.6 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.189 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' B' ' 20' ' ' MET . 21.7 Cg_exo -58.03 147.66 81.32 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.608 1.539 . . . . 0.0 111.71 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -65.54 -39.8 92.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -91.5 18.87 6.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.557 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.29 68.47 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.819 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -51.22 -39.89 57.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.945 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.423 HE22 ' HB2' ' C' ' 26' ' ' GLN . 59.1 tt0 -66.47 -44.48 82.59 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.313 0.383 . . . . 0.0 110.896 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.3 -45.01 93.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.03 0.443 . . . . 0.0 111.563 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.18 -41.65 89.96 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -58.66 -38.49 78.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.539 -1.664 . . . . 0.0 108.425 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.82 -44.54 89.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.94 -44.75 88.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -60.99 -49.46 77.34 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.464 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.05 -44.94 95.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.945 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.48 -46.29 86.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.611 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.23 -43.08 99.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 3.5 m -64.26 -42.87 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.19 0.519 . . . . 0.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' C' ' 36' ' ' CYS . 34.8 mt -62.65 -40.04 95.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.163 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.45 -43.32 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.41 -41.89 94.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.632 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.0 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.055 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.46 98.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.34 -41.37 98.86 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.074 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 44' ' ' LEU . 45.1 mt -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' C' ' 43' ' ' LEU . 57.0 mt -64.64 -42.31 95.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.044 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.69 -43.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.147 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.84 -43.71 98.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.476 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.42 -40.6 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.306 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.542 ' O ' HD13 ' B' ' 52' ' ' LEU . 18.4 mt -61.51 -43.76 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.447 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.53 -45.39 85.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.566 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.804 ' SD ' HD11 ' A' ' 52' ' ' LEU . 73.2 mtm -64.44 -42.28 96.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.191 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.429 HD12 ' C ' ' B' ' 51' ' ' LEU . 0.5 OUTLIER -72.92 -28.53 62.51 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.207 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' C' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.723 -1.132 . . . . 0.0 109.51 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.469 ' O ' HG22 ' C' ' 4' ' ' VAL . 97.3 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -77.69 -8.93 58.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.604 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.88 -35.28 77.85 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.469 HG22 ' O ' ' C' ' 1' ' ' MET . 5.8 m -59.98 -26.77 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.374 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -67.93 -37.16 81.32 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.34 -46.38 86.9 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.466 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.6 mp -62.24 -40.52 96.44 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.974 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 71.6 m -62.04 -44.74 96.06 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.623 ' HA ' HD12 ' C' ' 12' ' ' ILE . 87.6 mtm180 -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.287 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -64.37 -32.8 74.56 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.816 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.08 87.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.103 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.5 mt -63.47 -42.75 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.259 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.83 -39.84 95.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.173 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.5 -46.2 90.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.42 69.63 0.12 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.491 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.16 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.72 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -123.61 -23.0 4.84 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.421 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 36.9 pt -72.58 -6.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.33 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.25 -3.95 33.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' MET . . . . . 0.429 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 56.8 mtt -59.1 -45.33 99.43 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.235 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' C' ' 20' ' ' MET . 22.4 Cg_exo -58.03 148.1 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.661 1.574 . . . . 0.0 111.663 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.87 -40.23 91.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -91.14 19.39 5.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.588 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.71 -48.56 69.46 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -51.17 -39.94 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.816 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' GLN . . . . . 0.423 ' HB2' HE22 ' B' ' 26' ' ' GLN . 58.9 tt0 -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.022 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.34 -45.56 90.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.021 0.439 . . . . 0.0 111.545 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 12.1 mt -65.65 -41.84 92.11 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.46 -38.39 77.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.352 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.04 -44.47 88.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.539 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -44.59 88.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.2 -49.35 77.53 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.599 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.28 -44.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.86 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.43 -46.54 85.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.567 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -61.87 -43.53 98.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.15 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 3.8 m -64.08 -42.7 96.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.128 0.49 . . . . 0.0 110.153 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' D' ' 36' ' ' CYS . 34.0 mt -62.61 -40.31 96.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.109 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.16 -43.33 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.454 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.33 -41.95 94.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.728 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.99 -43.32 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.03 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.78 98.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.589 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.0 -41.58 99.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' B' ' 44' ' ' LEU . 44.3 mt -61.46 -42.62 99.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' D' ' 43' ' ' LEU . 56.8 mt -64.54 -42.38 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.39 -44.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.931 0.396 . . . . 0.0 110.141 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.74 -43.53 98.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.8 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.271 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' C' ' 52' ' ' LEU . 17.8 mt -61.51 -43.84 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.265 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.6 t -67.52 -45.2 85.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.564 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' B' ' 52' ' ' LEU . 73.0 mtm -64.58 -42.01 95.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.191 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -73.26 -28.93 62.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.112 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 52' ' ' LEU . . . . . 0.791 HD11 ' SD ' ' D' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.475 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.469 ' O ' HG22 ' D' ' 4' ' ' VAL . 97.2 mtp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -77.63 -8.52 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.295 0.569 . . . . 0.0 109.696 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.18 -35.35 78.56 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.232 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.469 HG22 ' O ' ' D' ' 1' ' ' MET . 5.7 m -59.94 -26.85 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.331 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.85 -37.32 81.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.392 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.468 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.6 mp -61.89 -40.74 96.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.076 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.1 m -61.73 -44.93 95.95 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' D' ' 12' ' ' ILE . 87.7 mtm180 -65.09 -42.05 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.267 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 87.4 p -63.89 -32.94 74.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.267 0.556 . . . . 0.0 109.876 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.02 87.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.126 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.3 mt -63.56 -42.65 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.398 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.84 -40.22 96.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.099 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.3 -46.05 91.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.52 69.49 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.99 -22.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.626 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -123.56 -22.66 4.95 Favored 'General case' 0 N--CA 1.46 0.073 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.431 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 pt -72.91 -5.94 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.54 -3.77 32.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.472 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' MET . . . . . 0.427 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 56.3 mtt -59.13 -45.43 99.38 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.178 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 21' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' D' ' 20' ' ' MET . 22.2 Cg_exo -57.9 147.84 79.32 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.711 1.607 . . . . 0.0 111.79 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -65.73 -40.02 91.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -91.5 19.75 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.39 70.28 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -51.29 -40.1 58.24 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.48 -0.488 . . . . 0.0 109.752 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' GLN . . . . . 0.418 HE22 ' HB2' ' E' ' 26' ' ' GLN . 58.8 tt0 -66.26 -44.29 84.03 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.98 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.36 -45.39 91.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.439 . . . . 0.0 111.528 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.7 -41.78 91.95 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.44 -38.66 77.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.385 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.75 -44.43 90.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.618 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.26 -44.54 87.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.19 -49.29 77.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.514 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.15 -45.05 95.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.935 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.41 -46.55 85.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -61.73 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 3.9 m -64.23 -42.82 96.39 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' E' ' 36' ' ' CYS . 33.6 mt -62.44 -40.35 96.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.99 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.502 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.32 -41.78 94.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.565 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.33 -43.15 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.077 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.19 -43.57 98.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.488 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.08 -41.7 99.48 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' C' ' 44' ' ' LEU . 44.5 mt -61.51 -42.47 98.85 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' E' ' 43' ' ' LEU . 56.6 mt -64.54 -42.37 95.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.034 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.9 mm -63.53 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.82 -43.37 98.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.513 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.99 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.18 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 48' ' ' ILE . . . . . 0.556 ' O ' HD13 ' D' ' 52' ' ' LEU . 18.3 mt -61.6 -43.81 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.37 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.49 -45.4 85.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.566 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.791 ' SD ' HD11 ' C' ' 52' ' ' LEU . 73.3 mtm -64.27 -42.25 96.53 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.24 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.423 HD12 ' C ' ' D' ' 51' ' ' LEU . 0.5 OUTLIER -73.22 -28.76 62.35 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.211 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' E' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.273 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.46 ' O ' HG22 ' E' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -77.54 -8.68 58.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 109.668 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.1 -35.13 77.76 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.46 HG22 ' O ' ' E' ' 1' ' ' MET . 5.8 m -60.15 -26.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.34 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -67.84 -37.4 81.84 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.25 -46.56 86.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.453 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -62.21 -40.55 96.48 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 71.4 m -61.71 -44.87 96.09 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.652 ' HA ' HD12 ' E' ' 12' ' ' ILE . 87.6 mtm180 -65.32 -41.63 93.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 92.3 p -64.31 -32.75 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.677 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.3 88.09 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.197 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' E' ' 9' ' ' ARG . 23.7 mt -63.23 -42.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.409 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.093 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.17 -45.93 91.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.37 69.29 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.497 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.96 -21.99 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -123.43 -22.89 4.94 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.465 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 pt -72.86 -5.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.739 0.304 . . . . 0.0 111.372 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.54 -4.05 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 20' ' ' MET . . . . . 0.422 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 56.3 mtt -58.88 -45.65 99.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.115 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 21' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' E' ' 20' ' ' MET . 22.1 Cg_exo -57.86 147.6 80.34 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.634 1.556 . . . . 0.0 111.825 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -65.49 -39.76 92.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -91.85 19.5 6.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.573 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.62 -48.35 69.41 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -51.26 -40.09 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.966 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 26' ' ' GLN . . . . . 0.418 ' HB2' HE22 ' D' ' 26' ' ' GLN . 59.1 tt0 -66.4 -44.3 83.39 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 123.277 0.361 . . . . 0.0 110.985 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -63.31 -45.64 90.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 111.449 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.49 -41.81 92.85 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.5 -38.59 78.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.394 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.73 -44.36 90.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.722 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.29 -44.62 87.41 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.206 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -61.02 -49.24 78.22 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.443 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.32 -44.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.987 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.45 -46.51 85.91 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.48 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -62.07 -43.27 99.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.079 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 36' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 3.6 m -64.12 -42.71 96.75 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.286 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 34.5 mt -62.66 -40.18 96.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.16 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.16 -43.72 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 61.8 mt -60.35 -41.78 94.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.573 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.11 -43.57 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 83.7 m -62.0 -43.45 98.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.34 -41.32 98.87 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.056 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 43.9 mt -61.74 -42.53 99.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.487 ' HB2' HD13 ' A' ' 43' ' ' LEU . 57.1 mt -64.43 -42.58 95.95 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.033 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.43 -44.03 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.87 -43.54 98.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.509 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.78 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.233 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 48' ' ' ILE . . . . . 0.559 ' O ' HD13 ' E' ' 52' ' ' LEU . 18.5 mt -61.67 -43.5 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.433 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.73 -45.21 85.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.567 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' D' ' 52' ' ' LEU . 73.4 mtm -64.45 -42.29 96.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.128 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.429 ' C ' HD12 ' E' ' 51' ' ' LEU . 0.5 OUTLIER -73.0 -28.6 62.46 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.232 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.482 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' HG12 ' A' ' 4' ' ' VAL . 67.3 mtt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.3 -15.58 60.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 109.499 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.73 -43.47 98.78 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.662 0.744 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -60.23 -27.25 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.177 -179.169 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -66.3 -39.59 89.45 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.517 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -64.49 -44.1 92.05 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.583 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.6 mp -62.13 -41.11 97.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.4 m -60.26 -48.2 82.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.2 mtt180 -59.7 -41.59 91.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.0 t -59.57 -38.08 80.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.151 0.5 . . . . 0.0 109.654 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.35 -38.82 88.49 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.707 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 9' ' ' ARG . 9.8 mt -64.76 -42.94 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.519 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -63.46 -36.34 83.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.465 0.65 . . . . 0.0 109.295 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.514 ' O ' HD11 ' A' ' 18' ' ' ILE . 61.9 ttp180 -60.85 -42.3 97.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.106 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.74 70.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.66 -52.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.241 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.58 -31.22 21.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 14' ' ' ARG . 20.0 pt -74.17 -15.93 16.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -106.12 26.94 9.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.762 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -52.31 159.66 1.5 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.23 -33.74 66.35 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 122.356 2.037 . . . . 0.0 111.835 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.23 160.66 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.27 108.53 0.62 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.429 0.633 . . . . 0.0 110.967 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.28 -25.32 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 mtp85 -61.76 -40.57 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -65.89 -25.34 67.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.331 0.586 . . . . 0.0 110.653 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -72.85 -37.7 67.33 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.192 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 18' ' ' ILE . 7.2 mt -65.27 -49.24 70.33 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.191 0.52 . . . . 2.3 110.845 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.85 -37.59 87.42 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.144 -1.058 . . . . 1.89 108.144 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.03 -47.96 83.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.686 -0.806 . . . . 2.54 110.096 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.19 -42.93 83.35 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.032 -0.667 . . . . 2.52 111.287 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.82 -44.49 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 118.375 0.534 . . . . 2.39 112.069 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.59 -44.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.576 -0.45 . . . . 2.51 109.928 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.42 -44.3 97.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.15 109.44 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.567 -0.288 . . . . 2.1 111.425 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.78 -35.31 80.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 119.85 -0.74 . . . . 2.65 109.816 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 40' ' ' ILE . 33.0 mt -65.99 -39.01 89.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.91 -0.586 . . . . 2.28 109.801 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 mm -61.86 -44.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.452 -0.944 . . . . 1.9 108.452 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.2 mt -56.26 -42.16 76.95 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.379 -0.6 . . . . 2.31 109.379 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG23 HD11 ' E' ' 44' ' ' LEU . 28.7 mt -63.16 -43.04 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 108.92 -0.77 . . . . 2.39 108.92 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' B' ' 40' ' ' ILE . 61.6 m -58.87 -50.82 72.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.131 -0.692 . . . . 2.35 109.131 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 45' ' ' ILE . 72.4 mt -60.39 -43.21 96.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.968 0.413 . . . . 2.37 110.569 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.94 -41.63 92.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.658 -0.701 . . . . 2.2 109.43 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.609 ' CD1' HG23 ' B' ' 40' ' ' ILE . 31.1 mt -63.43 -39.52 94.71 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.271 -0.64 . . . . 2.21 109.271 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.3 mt -62.62 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.346 -0.983 . . . . 2.47 108.346 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.6 m -62.09 -37.32 84.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.468 -0.787 . . . . 2.39 109.982 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.3 -41.21 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.972 0.415 . . . . 2.19 109.966 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.98 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.856 -0.794 . . . . 2.38 108.856 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.55 -44.34 98.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.545 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.716 ' HB3' HD11 ' E' ' 51' ' ' LEU . 86.3 mmm -65.1 -42.15 94.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -74.6 -25.35 59.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.004 0.43 . . . . 0.0 110.069 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.817 -1.087 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.44 ' O ' HG12 ' B' ' 4' ' ' VAL . 66.9 mtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.15 -16.05 61.06 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 121.71 0.767 . . . . 0.0 109.466 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.761 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.44 HG12 ' O ' ' B' ' 1' ' ' MET . 0.8 OUTLIER -60.71 -27.62 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.852 -179.709 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -65.84 -39.51 90.87 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.644 -0.823 . . . . 0.0 109.705 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.99 -42.17 94.76 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.767 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.5 mp -63.56 -40.84 98.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 70.7 m -61.73 -43.39 98.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.1 mtt180 -63.88 -41.25 97.78 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.622 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 8.8 t -60.24 -38.01 82.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.149 0.5 . . . . 0.0 109.819 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.6 85.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.712 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 9' ' ' ARG . 9.9 mt -65.09 -43.63 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.342 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.54 -35.51 80.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 0.0 109.557 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.503 ' O ' HD11 ' B' ' 18' ' ' ILE . 61.9 ttp180 -61.77 -41.2 97.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.97 70.52 0.32 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.84 -52.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.369 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.31 -31.64 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.503 HD11 ' O ' ' B' ' 14' ' ' ARG . 20.0 pt -74.08 -15.6 16.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.587 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -106.5 27.32 8.9 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.627 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -52.75 159.46 1.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -52.7 -33.85 61.45 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.361 2.04 . . . . 0.0 111.742 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.7 159.87 21.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.34 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.54 109.19 0.65 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -175.32 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.048 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.8 mtp85 -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.28 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.05 -28.49 68.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.226 0.536 . . . . 0.0 110.728 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.47 -37.55 74.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.559 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.429 HD22 HD12 ' B' ' 18' ' ' ILE . 8.3 mt -64.49 -49.94 69.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.213 0.53 . . . . 0.0 110.43 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.99 -33.94 76.86 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.32 -49.4 75.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.45 -40.69 89.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.43 81.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -44.6 92.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.226 0.536 . . . . 0.0 109.777 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.9 t80 -58.18 -46.43 85.78 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.45 -37.23 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.815 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' B' ' 40' ' ' ILE . 31.6 mt -64.02 -39.38 93.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.771 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 mm -62.14 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 92.2 mt -58.95 -41.72 88.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.609 HG23 ' CD1' ' A' ' 44' ' ' LEU . 29.2 mt -63.15 -42.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.182 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' C' ' 40' ' ' ILE . 61.5 m -60.14 -48.05 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.702 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' B' ' 45' ' ' ILE . 74.4 mt -62.51 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.496 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.08 -41.67 98.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG23 ' C' ' 40' ' ' ILE . 30.7 mt -63.11 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' B' ' 42' ' ' LEU . 25.8 mt -62.92 -42.85 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 95.6 m -62.77 -37.11 85.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.717 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.01 -43.08 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.01 -42.43 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.152 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.1 -43.75 97.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.796 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' LEU . 85.9 mmm -66.1 -41.68 90.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -74.95 -24.58 58.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.137 179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.603 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.414 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.445 ' O ' HG12 ' C' ' 4' ' ' VAL . 67.1 mtt . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.05 -16.05 60.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 109.56 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.99 -42.61 99.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.445 HG12 ' O ' ' C' ' 1' ' ' MET . 0.8 OUTLIER -60.89 -27.27 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.664 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -66.27 -39.2 89.26 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.547 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.45 -42.26 92.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.433 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.6 mp -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 76.3 m -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ARG . . . . . 0.426 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.2 mtt180 -63.97 -40.87 97.4 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.753 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 9.0 t -60.52 -37.88 82.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.81 85.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.672 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' C' ' 9' ' ' ARG . 10.1 mt -65.13 -43.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.122 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -63.67 -35.9 82.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.287 0.565 . . . . 0.0 109.501 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ARG . . . . . 0.509 ' O ' HD11 ' C' ' 18' ' ' ILE . 62.0 ttp180 -61.22 -41.5 96.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.416 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.6 69.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.09 -52.58 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.319 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -86.53 -31.48 21.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.154 0.502 . . . . 0.0 109.9 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . 0.509 HD11 ' O ' ' C' ' 14' ' ' ARG . 19.9 pt -74.18 -15.61 16.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.634 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -106.73 27.93 8.41 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.614 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -53.34 159.62 2.12 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -53.06 -33.29 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.44 2.093 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -64.95 160.1 21.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.215 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.78 109.04 0.65 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.177 0.513 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.93 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.148 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp85 -62.99 -40.42 97.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -66.01 -27.6 68.24 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -71.06 -37.91 72.49 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.517 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.44 HD22 HD12 ' C' ' 18' ' ' ILE . 8.1 mt -64.08 -49.82 70.78 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.07 -33.94 76.9 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -62.33 -49.34 76.01 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.537 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.43 -40.65 89.62 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.902 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.66 -48.49 80.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.119 0.485 . . . . 0.0 110.7 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.92 -44.51 92.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.12 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.224 0.535 . . . . 0.0 109.805 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.9 t80 -58.51 -46.1 87.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.53 -37.33 87.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.832 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.9 mt -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.85 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.01 -41.52 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 93.6 mt -59.09 -41.78 88.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' ILE . . . . . 0.59 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.4 mt -63.05 -42.51 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' CYS . . . . . 0.541 ' SG ' HG13 ' D' ' 40' ' ' ILE . 62.3 m -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.764 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' C' ' 45' ' ' ILE . 72.4 mt -62.99 -41.61 99.62 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -41.45 98.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.428 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' LEU . . . . . 0.585 ' CD1' HG23 ' D' ' 40' ' ' ILE . 31.9 mt -63.18 -39.31 94.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.46 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.5 mt -63.06 -42.66 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.07 -36.91 85.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.768 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.23 -43.18 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.89 -42.66 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.79 -43.6 97.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' MET . . . . . 0.728 ' HB3' HD11 ' B' ' 51' ' ' LEU . 85.9 mmm -66.05 -41.95 90.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.346 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 51' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -74.63 -24.95 58.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.215 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.43 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.447 ' O ' HG12 ' D' ' 4' ' ' VAL . 67.5 mtt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.92 -15.84 60.05 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 121.752 0.787 . . . . 0.0 109.453 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.14 -42.46 99.27 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.798 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.447 HG12 ' O ' ' D' ' 1' ' ' MET . 0.8 OUTLIER -61.04 -27.05 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.822 -179.557 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -66.33 -39.41 89.23 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.525 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -65.09 -42.1 94.37 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.729 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.43 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.5 mp -63.47 -40.98 98.54 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ARG . . . . . 0.429 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.1 mtt180 -64.18 -40.81 96.9 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.556 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -60.8 -37.89 83.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 109.856 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.97 85.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.7 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' D' ' 9' ' ' ARG . 10.0 mt -65.0 -43.2 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.242 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.89 -35.99 82.47 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.394 0.616 . . . . 0.0 109.494 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ARG . . . . . 0.51 ' O ' HD11 ' D' ' 18' ' ' ILE . 62.1 ttp180 -61.41 -41.68 97.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.192 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.21 70.19 0.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.33 -52.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.289 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.17 -31.38 21.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.054 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ILE . . . . . 0.51 HD11 ' O ' ' D' ' 14' ' ' ARG . 19.9 pt -74.48 -15.61 16.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.489 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.44 27.33 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.616 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.72 159.4 1.76 Allowed Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.727 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -52.86 -33.37 60.91 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.467 2.111 . . . . 0.0 111.782 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.79 160.3 20.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -58.02 109.08 0.67 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.77 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.997 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 61.0 mtp85 -62.25 -40.57 96.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.256 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -65.82 -27.92 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.441 0.639 . . . . 0.0 110.72 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -70.88 -37.97 73.07 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' LEU . . . . . 0.438 HD22 HD12 ' D' ' 18' ' ' ILE . 7.8 mt -63.99 -50.23 69.38 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.346 0.593 . . . . 0.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -61.79 -49.23 77.18 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.724 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.56 -40.62 89.11 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.964 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.47 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.146 0.498 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.02 -44.49 92.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.32 -43.26 99.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.396 0.617 . . . . 0.0 109.725 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.8 t80 -58.39 -46.16 86.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.2 m -64.67 -37.03 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.731 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' LEU . . . . . 0.575 ' HA ' HD12 ' D' ' 40' ' ' ILE . 34.2 mt -64.37 -39.26 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.858 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.14 -41.34 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 93.6 mt -59.03 -41.81 88.71 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' C' ' 44' ' ' LEU . 28.1 mt -63.11 -42.68 97.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 41' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' E' ' 40' ' ' ILE . 61.9 m -60.64 -47.39 86.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 42' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' D' ' 45' ' ' ILE . 72.0 mt -62.76 -41.92 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.424 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.03 -41.55 98.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.429 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' LEU . . . . . 0.595 HD11 HG23 ' E' ' 40' ' ' ILE . 31.2 mt -63.02 -39.35 94.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.45 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 45' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' D' ' 42' ' ' LEU . 26.3 mt -62.98 -42.68 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.96 -36.96 85.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.26 -43.04 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.92 -42.51 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.232 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.21 -43.91 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.755 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 50' ' ' MET . . . . . 0.721 ' HB3' HD11 ' C' ' 51' ' ' LEU . 86.7 mmm -65.6 -42.0 92.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -74.59 -25.24 59.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.048 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.426 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 1' ' ' MET . . . . . 0.444 ' O ' HG12 ' E' ' 4' ' ' VAL . 67.1 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.93 -15.78 59.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.679 0.752 . . . . 0.0 109.448 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.05 -42.81 99.58 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 4' ' ' VAL . . . . . 0.444 HG12 ' O ' ' E' ' 1' ' ' MET . 0.8 OUTLIER -60.8 -27.29 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.887 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -66.2 -39.29 89.55 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.431 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.12 -42.2 94.16 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.772 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.428 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.5 mp -63.57 -41.08 98.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -61.58 -43.07 99.54 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' ARG . . . . . 0.423 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.1 mtt180 -64.02 -41.33 97.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.511 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -60.14 -38.29 82.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.123 0.487 . . . . 0.0 109.689 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.79 85.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.801 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' E' ' 9' ' ' ARG . 10.0 mt -64.93 -43.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.336 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -63.69 -35.74 81.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.355 0.598 . . . . 0.0 109.559 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' ARG . . . . . 0.51 ' O ' HD11 ' E' ' 18' ' ' ILE . 61.9 ttp180 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.854 -1.067 . . . . 0.0 112.244 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.32 71.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.21 -52.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.34 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -86.16 -31.38 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.118 0.485 . . . . 0.0 110.004 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 18' ' ' ILE . . . . . 0.51 HD11 ' O ' ' E' ' 14' ' ' ARG . 19.5 pt -74.39 -15.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.47 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.49 27.5 8.72 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.723 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.86 159.61 1.75 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.694 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -52.9 -33.59 62.37 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.458 2.106 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.94 160.21 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.339 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.75 108.91 0.63 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.76 -23.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.036 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -62.88 -40.44 97.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.216 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.8 -28.57 69.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 0.0 110.454 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -70.33 -37.67 74.74 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 28' ' ' LEU . . . . . 0.436 HD22 HD12 ' E' ' 18' ' ' ILE . 8.0 mt -64.39 -49.53 71.21 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.313 0.577 . . . . 0.0 110.635 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.49 -33.78 76.67 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.83 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.31 -49.12 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.534 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.71 -40.64 88.53 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.778 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.54 -48.26 81.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.19 -44.33 91.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.31 -43.13 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.329 0.585 . . . . 0.0 109.673 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 35' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.8 t80 -58.63 -46.3 87.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.62 -37.07 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 37' ' ' LEU . . . . . 0.57 ' HA ' HD12 ' E' ' 40' ' ' ILE . 33.7 mt -64.16 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.21 -41.51 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 39' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 92.6 mt -58.91 -41.62 87.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 40' ' ' ILE . . . . . 0.595 HG23 HD11 ' D' ' 44' ' ' LEU . 29.3 mt -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 41' ' ' CYS . . . . . 0.537 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.1 m -61.0 -47.4 86.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.762 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' E' ' 45' ' ' ILE . 72.4 mt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.83 -41.66 98.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 44' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 40' ' ' ILE . 31.5 mt -63.18 -39.34 94.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 45' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.5 mt -62.72 -42.85 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.81 -37.24 85.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.93 -43.01 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.0 -42.38 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.16 -43.53 97.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 50' ' ' MET . . . . . 0.694 ' HB3' HD11 ' D' ' 51' ' ' LEU . 86.7 mmm -66.04 -41.86 90.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 51' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -74.86 -24.9 58.65 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.027 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.415 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.64 -32.81 71.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.792 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -66.47 -47.05 74.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.249 0.547 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 18.4 mt -66.04 -44.19 85.35 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.56 -0.904 . . . . 2.25 108.56 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.48 -42.2 74.03 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 113.564 -1.653 . . . . 1.9 107.57 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -63.59 -41.2 98.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.35 -1.296 . . . . 2.57 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.62 -46.27 76.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.466 -0.494 . . . . 2.39 112.177 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -59.1 -40.08 84.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 120.332 -0.547 . . . . 2.41 110.82 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.86 -43.97 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.762 -0.654 . . . . 2.39 109.686 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.04 -44.32 96.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.155 -0.475 . . . . 2.16 110.084 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.99 -43.64 98.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.66 0.267 . . . . 2.22 111.094 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 75.3 m -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.169 -0.612 . . . . 2.6 109.569 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 40' ' ' ILE . 57.4 mt -67.42 -38.92 85.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 2.29 109.635 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.36 -45.75 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.076 -1.083 . . . . 1.97 108.076 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.3 mt -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 2.32 109.215 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' E' ' 44' ' ' LEU . 32.1 mt -63.7 -42.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.973 -0.751 . . . . 2.34 108.973 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' HG13 ' B' ' 40' ' ' ILE . 74.2 m -58.32 -47.58 83.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.84 -0.8 . . . . 2.32 108.84 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.21 -43.31 99.08 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.027 -0.36 . . . . 2.31 110.027 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' E' ' 44' ' ' LEU . 18.9 mt -59.1 -42.03 89.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.059 -0.518 . . . . 2.23 109.726 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD1' HG23 ' B' ' 40' ' ' ILE . 55.6 mt -64.63 -39.31 93.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.222 -0.659 . . . . 2.27 109.222 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.96 -44.53 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 108.374 -0.972 . . . . 2.48 108.374 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -63.16 -35.03 78.94 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.12 -0.945 . . . . 2.41 110.459 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.86 -40.17 83.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.031 0.443 . . . . 2.2 110.763 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.72 -42.07 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 115.381 -0.827 . . . . 2.4 109.558 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.28 -47.93 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.647 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.41 -46.4 88.77 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.518 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.37 -37.95 74.67 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.879 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.543 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.29 -33.14 71.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -66.49 -46.0 77.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.438 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 mt -66.99 -44.11 81.25 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.38 -39.35 72.81 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.135 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.41 -43.64 89.96 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.48 -44.26 91.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -60.46 -43.61 96.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.64 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.78 -44.03 96.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.244 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.46 -43.84 97.86 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.85 -43.82 98.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 79.8 m -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.441 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' B' ' 40' ' ' ILE . 59.1 mt -65.5 -38.63 90.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.8 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.24 -42.18 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.32 91.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.549 HG23 ' CD1' ' A' ' 44' ' ' LEU . 31.4 mt -63.79 -42.53 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' C' ' 40' ' ' ILE . 73.0 m -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.71 -41.59 99.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.909 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -61.49 -42.13 98.32 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.536 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' C' ' 40' ' ' ILE . 52.3 mt -64.33 -39.02 93.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.14 -44.06 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -63.66 -35.02 79.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.178 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.09 -43.17 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.77 -42.71 96.83 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.739 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.39 -45.82 81.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.46 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 40.5 mmm -63.6 -47.04 83.07 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.29 -38.09 74.93 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.025 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.571 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.476 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.66 -33.05 72.25 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -66.63 -46.2 76.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.364 0.602 . . . . 0.0 110.263 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 mt -66.55 -44.44 82.37 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.22 -39.62 72.79 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 113.696 -1.593 . . . . 0.0 108.074 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.0 -43.73 91.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.52 -44.21 91.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -60.51 -43.55 96.97 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.573 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.99 -44.1 96.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.166 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.3 -43.98 97.58 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.532 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 77.2 m -63.91 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' C' ' 40' ' ' ILE . 59.0 mt -65.74 -38.6 89.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.871 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.44 -42.24 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.24 -40.41 90.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' B' ' 44' ' ' LEU . 32.1 mt -63.88 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' D' ' 40' ' ' ILE . 73.5 m -59.57 -45.17 92.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.51 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.82 -41.47 99.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.965 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' B' ' 44' ' ' LEU . 17.8 mt -61.71 -42.11 98.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.634 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 40' ' ' ILE . 54.5 mt -64.21 -39.22 93.52 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.241 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.23 -43.87 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.66 -35.09 79.39 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.377 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.07 -43.06 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.029 0.442 . . . . 0.0 110.237 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.72 -42.88 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.65 0.738 . . . . 0.0 109.707 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.8 t -68.13 -45.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.495 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.9 mmm -63.84 -46.7 83.83 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.039 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.63 -38.01 73.84 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.036 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.493 -179.764 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -60.41 -33.2 72.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -66.51 -45.94 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.293 0.568 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.8 -44.31 81.57 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.22 -39.65 72.83 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 113.549 -1.659 . . . . 0.0 108.096 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.09 -43.76 91.03 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.41 -44.38 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.26 -43.6 96.0 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.996 -0.681 . . . . 0.0 109.685 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.95 -44.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.293 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.44 -43.84 97.84 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.204 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.99 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 77.3 m -64.06 -40.68 96.79 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.541 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' D' ' 40' ' ' ILE . 59.3 mt -65.85 -38.94 90.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.817 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.94 -42.31 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.33 -40.35 90.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 44' ' ' LEU . 33.2 mt -63.7 -42.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.509 ' SG ' HG13 ' E' ' 40' ' ' ILE . 72.9 m -59.64 -45.23 92.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.537 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.07 -41.52 99.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.923 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' C' ' 44' ' ' LEU . 17.9 mt -61.31 -42.39 98.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.602 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.556 ' CD1' HG23 ' E' ' 40' ' ' ILE . 54.3 mt -63.93 -39.32 93.89 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.256 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.11 -43.9 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.9 m -63.75 -34.95 79.04 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.27 -43.14 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.63 -42.83 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-O 121.541 0.686 . . . . 0.0 109.661 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.25 -45.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.565 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 40.9 mmm -63.8 -46.89 83.13 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.45 -38.08 74.43 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.002 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.219 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.579 -179.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.3 -33.23 72.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -66.39 -46.11 77.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.578 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -66.72 -44.26 82.06 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -56.28 -39.38 72.58 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.116 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.549 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.56 -44.17 91.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -60.51 -43.37 97.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.656 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.22 -43.93 95.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.42 -43.96 97.57 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.185 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -61.82 -43.59 98.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.754 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 82.4 m -64.2 -40.77 96.78 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.406 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.5 mt -65.72 -38.87 90.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.755 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.79 -42.31 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.31 -40.55 90.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' D' ' 44' ' ' LEU . 32.7 mt -63.85 -42.31 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' A' ' 40' ' ' ILE . 73.0 m -59.61 -45.41 92.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.71 -41.51 99.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.072 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 17.6 mt -61.61 -42.12 98.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.53 ' CD1' HG23 ' A' ' 40' ' ' ILE . 54.9 mt -64.22 -39.17 93.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.13 -44.18 99.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.41 -35.11 79.33 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.368 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.28 -43.02 88.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 0.0 110.164 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.63 -42.91 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 CA-C-O 121.699 0.761 . . . . 0.0 109.739 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.23 -46.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.519 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 41.3 mmm -63.68 -46.83 83.74 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.898 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.19 -38.34 75.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.977 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.596 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.56 -179.679 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 . . . . . 0 CA--C 1.517 -0.312 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -61.85 -32.38 72.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.252 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -67.8 -45.37 74.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.253 0.549 . . . . 0.0 109.612 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 17.0 mt -66.0 -44.54 84.5 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 108.706 -0.85 . . . . 2.24 108.706 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.28 -41.41 75.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.572 -1.649 . . . . 1.91 107.649 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -63.77 -40.61 97.12 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.188 -1.369 . . . . 2.57 111.245 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.38 -46.8 72.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.353 -0.539 . . . . 2.41 111.665 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -58.92 -41.27 86.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.472 -0.491 . . . . 2.42 110.725 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.12 -43.41 85.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.888 -0.596 . . . . 2.4 109.836 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.91 -44.65 96.35 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.497 -0.481 . . . . 2.16 110.352 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.025 -0.27 . . . . 2.21 110.953 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.7 m -63.6 -38.95 93.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.208 -0.597 . . . . 2.61 109.605 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 40.9 mt -68.2 -38.86 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.537 -0.756 . . . . 2.3 109.435 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.03 -45.97 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.347 -0.983 . . . . 1.98 108.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.4 -41.16 75.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.794 -0.639 . . . . 2.29 109.39 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.531 HG23 ' CD1' ' E' ' 44' ' ' LEU . 27.9 mt -62.54 -42.85 97.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.305 -0.628 . . . . 2.31 109.305 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.0 m -57.64 -46.5 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.694 -0.854 . . . . 2.31 108.694 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.98 -44.19 97.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.817 -0.438 . . . . 2.32 109.817 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' E' ' 44' ' ' LEU . 55.1 mt -59.56 -42.48 92.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 2.25 109.665 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 40' ' ' ILE . 42.2 mt -63.75 -40.31 96.41 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.241 -0.651 . . . . 2.3 109.241 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.76 -43.71 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.383 -0.969 . . . . 2.48 108.383 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.87 -35.31 79.59 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.81 -38.7 82.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.055 0.455 . . . . 2.21 110.718 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.57 -41.78 86.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.895 0.855 . . . . 2.38 109.359 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.42 -47.27 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.574 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.7 mmm -62.55 -47.13 85.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.63 -38.65 80.68 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.652 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.387 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.147 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -66.78 -44.4 81.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.436 0.636 . . . . 0.0 110.428 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.433 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 18.0 mt -65.75 -45.14 83.69 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.34 -38.7 74.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.396 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.22 -43.78 90.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.58 -44.81 89.49 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.395 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.45 -44.18 96.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.75 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.73 -43.42 93.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.357 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.34 -44.55 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.23 -42.73 99.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -63.64 -41.56 98.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 40' ' ' ILE . 41.7 mt -65.68 -38.51 89.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.999 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.49 -41.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.27 -40.18 89.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 44' ' ' LEU . 27.9 mt -63.01 -42.71 97.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.49 ' SG ' HG13 ' C' ' 40' ' ' ILE . 64.3 m -58.91 -43.49 91.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.988 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.21 -42.32 99.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.698 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' C' ' 40' ' ' ILE . 44.7 mt -63.48 -40.64 97.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.48 -44.05 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.14 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.95 -42.6 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-O 120.961 0.41 . . . . 0.0 110.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.9 -42.85 97.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 109.498 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.42 -46.27 83.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.297 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.016 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.55 -39.27 81.13 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.114 0.483 . . . . 0.0 109.727 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.595 -179.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.83 -34.46 74.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.994 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -66.71 -44.42 81.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.211 0.529 . . . . 0.0 110.356 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.85 -44.98 83.87 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.22 -38.61 74.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.404 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.26 -44.02 89.44 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.58 -44.58 90.24 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.411 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.19 -44.48 95.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.761 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.71 -43.54 93.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.27 -44.48 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.32 -42.64 99.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.75 -41.41 98.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' C' ' 40' ' ' ILE . 43.4 mt -65.62 -39.04 91.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.899 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.81 -42.35 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.79 -40.56 88.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.5 mt -62.63 -43.01 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.502 ' SG ' HG13 ' D' ' 40' ' ' ILE . 64.2 m -58.69 -43.51 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.01 -42.25 99.77 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.07 -42.38 99.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' D' ' 40' ' ' ILE . 43.6 mt -63.37 -40.83 98.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.25 -43.71 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.94 -35.5 80.34 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.77 -42.53 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.003 0.43 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.0 -42.61 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.646 0.736 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.74 -46.08 83.25 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.8 mmm -63.36 -47.42 82.2 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.79 -38.71 80.16 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.139 0.495 . . . . 0.0 109.746 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.748 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.552 -179.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 . . . . . 0 CA--C 1.516 -0.344 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.71 -34.47 74.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.084 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -66.74 -44.4 81.62 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.36 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.91 -44.8 84.14 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.48 -38.44 74.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.633 -1.622 . . . . 0.0 108.431 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.52 -43.93 88.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.389 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.32 -44.66 90.86 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.13 -44.71 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.668 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.35 -43.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' D' ' 34' ' ' ASN . 7.3 m120 -62.55 -44.33 96.6 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.279 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.41 -42.7 99.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.88 -41.31 97.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' D' ' 40' ' ' ILE . 43.3 mt -65.75 -38.82 90.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.81 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.96 -42.36 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.81 -40.5 88.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' C' ' 44' ' ' LEU . 29.0 mt -62.69 -42.91 97.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.505 ' SG ' HG13 ' E' ' 40' ' ' ILE . 64.7 m -58.87 -43.53 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.9 -42.22 99.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.02 -42.34 99.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.718 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' E' ' 40' ' ' ILE . 43.9 mt -63.51 -40.87 98.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.16 -43.82 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.7 m -63.03 -35.33 79.89 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.64 -42.6 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 121.072 0.463 . . . . 0.0 110.234 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.89 -42.82 97.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 109.506 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.69 -46.02 83.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.352 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.48 -47.31 82.32 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.003 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.96 -38.53 79.46 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.439 -179.644 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.49 -34.58 74.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.113 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -66.64 -44.39 82.07 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.336 0.589 . . . . 0.0 110.362 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.75 -45.28 83.19 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -56.79 -38.99 73.3 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.49 -1.686 . . . . 0.0 108.401 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.01 -44.02 90.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.488 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.46 -44.78 90.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -60.12 -44.45 94.88 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.753 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.69 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.1 -44.58 96.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.43 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.31 -42.72 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 42.7 mt -65.48 -38.59 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.046 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.27 -41.94 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 mt -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.1 mt -62.96 -42.57 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.639 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.501 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.9 m -58.88 -43.61 90.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.04 -42.07 99.67 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' D' ' 44' ' ' LEU . 53.4 mt -62.18 -42.3 99.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.531 ' CD1' HG23 ' A' ' 40' ' ' ILE . 44.7 mt -63.38 -40.63 97.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.588 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.64 -43.88 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 86.5 m -62.78 -35.32 79.47 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.016 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.74 -42.62 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.194 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.93 -42.63 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-O 121.504 0.668 . . . . 0.0 109.674 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.03 83.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.471 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.33 -47.43 82.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.894 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.84 -39.21 80.08 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.65 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.678 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 CA--C 1.517 -0.322 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -64.13 -34.19 77.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.745 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -65.45 -43.07 91.52 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.524 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.7 mt -66.4 -44.25 83.53 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.667 -0.864 . . . . 2.22 108.667 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -56.08 -41.23 74.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 113.697 -1.592 . . . . 1.91 107.964 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.437 HD21 HD21 ' A' ' 34' ' ' ASN . 10.8 t-20 -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.249 -1.341 . . . . 2.55 111.033 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.26 -45.63 76.09 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.208 -0.597 . . . . 2.44 112.137 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.05 -42.57 94.75 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.361 -0.536 . . . . 2.44 111.162 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.59 -43.18 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.067 -0.515 . . . . 2.43 109.977 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.437 HD21 HD21 ' A' ' 30' ' ' ASN . 94.6 m-20 -62.29 -45.17 94.44 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.209 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.36 -42.25 99.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.665 -0.243 . . . . 2.18 110.681 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.99 -39.57 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.262 -0.575 . . . . 2.58 109.746 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 40' ' ' ILE . 34.9 mt -68.01 -38.26 82.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 2.33 109.805 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.2 -46.75 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.668 -0.864 . . . . 1.97 108.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.74 -40.54 75.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.835 -0.802 . . . . 2.31 108.835 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 37' ' ' LEU . 30.0 mt -62.4 -42.38 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.855 -0.794 . . . . 2.29 108.855 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' SG ' HG13 ' B' ' 40' ' ' ILE . 62.3 m -58.75 -46.63 86.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.769 -0.826 . . . . 2.31 108.769 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.39 -43.33 99.05 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 110.115 -0.328 . . . . 2.36 110.115 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.1 -42.18 94.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.263 -0.426 . . . . 2.23 109.999 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' B' ' 40' ' ' ILE . 40.8 mt -63.38 -38.96 93.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.249 -0.648 . . . . 2.27 109.249 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.23 -43.23 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.688 -0.856 . . . . 2.44 108.688 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.29 -35.2 79.59 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.234 -0.894 . . . . 2.38 110.036 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.9 mt -66.8 -40.86 86.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.237 0.541 . . . . 2.22 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.8 mt -67.51 -42.49 87.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.949 -1.023 . . . . 2.4 110.324 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.16 -48.93 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.754 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.466 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.0 mmm -62.36 -47.08 85.77 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.388 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 47' ' ' ILE . 8.9 mt -68.35 -38.8 81.81 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.1 mp . . . . . 0 N--CA 1.444 -0.728 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.55 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.465 0.287 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.95 -38.28 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.03 -41.34 99.5 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.638 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.36 -44.29 79.38 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.2 -38.75 74.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.486 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.443 HD21 HD21 ' B' ' 34' ' ' ASN . 9.8 t-20 -64.7 -45.18 87.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.352 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.19 -43.85 90.3 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.73 93.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.003 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.29 -43.52 95.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.443 HD21 HD21 ' B' ' 30' ' ' ASN . 94.5 m-20 -62.16 -45.19 94.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.068 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.369 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 90.8 m -62.1 -42.45 99.23 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.606 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' B' ' 40' ' ' ILE . 34.3 mt -65.57 -38.2 88.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.137 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.93 -43.47 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.28 -40.23 85.43 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 37' ' ' LEU . 29.4 mt -62.54 -42.42 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' C' ' 40' ' ' ILE . 62.6 m -59.42 -43.82 93.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.59 -42.02 98.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 44' ' ' LEU . 50.7 mt -61.92 -41.8 98.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.945 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' C' ' 40' ' ' ILE . 39.6 mt -63.91 -39.31 93.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.05 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.96 -35.62 80.76 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 44' ' ' LEU . 13.0 mt -65.69 -44.12 93.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.02 0.438 . . . . 0.0 110.088 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' C' ' 47' ' ' ILE . 77.6 mt -64.24 -43.15 97.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.87 -46.62 78.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.496 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' A' ' 52' ' ' LEU . 82.4 mmm -64.09 -47.55 79.61 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.973 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.415 HD12 HG23 ' B' ' 47' ' ' ILE . 9.3 mt -68.32 -39.4 81.98 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.039 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.646 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 CA--C 1.517 -0.308 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.9 -37.87 88.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.23 -41.48 99.11 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.555 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.39 -44.12 79.67 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -38.89 74.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.624 -1.626 . . . . 0.0 108.471 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . 0.444 HD21 HD21 ' C' ' 34' ' ' ASN . 10.0 t-20 -64.74 -44.96 88.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.445 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.22 -43.48 91.35 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -61.24 -45.56 94.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.91 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.44 -43.51 94.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.444 HD21 HD21 ' C' ' 30' ' ' ASN . 94.1 m-20 -62.34 -45.31 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 92.0 m -62.27 -42.17 99.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.552 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' C' ' 40' ' ' ILE . 32.9 mt -65.7 -38.16 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.04 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.04 -43.21 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.48 -40.22 86.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' C' ' 37' ' ' LEU . 29.5 mt -62.46 -42.63 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.0 m -59.24 -43.96 92.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.45 -42.19 98.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.98 -41.76 98.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' D' ' 40' ' ' ILE . 39.6 mt -63.64 -39.32 94.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.0 -43.38 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -62.94 -35.76 81.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' C' ' 44' ' ' LEU . 12.0 mt -65.59 -44.12 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.24 -43.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.82 -46.7 78.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.405 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.5 mmm -63.83 -47.37 81.07 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.121 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.43 HD12 HG23 ' C' ' 47' ' ' ILE . 9.3 mt -68.53 -39.02 81.34 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.014 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.434 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 CA--C 1.518 -0.275 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.8 -38.05 89.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.07 -41.56 99.46 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.628 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.3 mt -67.34 -44.18 79.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.18 -38.6 73.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.602 -1.635 . . . . 0.0 108.673 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . 0.44 HD21 HD21 ' D' ' 34' ' ' ASN . 9.9 t-20 -64.83 -45.05 87.77 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.49 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.25 -43.6 90.82 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -61.21 -45.6 93.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.831 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.44 -43.44 94.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.44 HD21 HD21 ' D' ' 30' ' ' ASN . 94.0 m-20 -62.26 -45.6 92.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.76 -42.83 99.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.484 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.22 -42.22 99.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.609 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.1 mt -65.78 -37.93 87.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.35 -43.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.51 -40.08 85.94 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' D' ' 37' ' ' LEU . 29.2 mt -62.77 -42.41 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.461 ' SG ' HG13 ' E' ' 40' ' ' ILE . 62.1 m -59.49 -43.56 93.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.735 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.63 -41.95 98.21 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.164 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.16 -41.79 98.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.956 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.578 ' CD1' HG23 ' E' ' 40' ' ' ILE . 40.8 mt -63.78 -39.34 94.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -62.99 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.13 -35.63 80.92 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.025 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' D' ' 44' ' ' LEU . 12.1 mt -65.6 -44.21 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.058 0.456 . . . . 0.0 110.189 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' E' ' 47' ' ' ILE . 76.4 mt -64.23 -43.22 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.71 -46.58 79.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.609 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.477 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.8 mmm -64.07 -47.56 79.65 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.967 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.418 HD12 HG23 ' D' ' 47' ' ' ILE . 9.3 mt -68.36 -38.8 81.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.128 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.72 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.423 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.01 -38.25 90.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.343 -1.298 . . . . 0.0 111.31 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -62.94 -41.26 99.44 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.556 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -67.53 -44.46 78.33 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.12 -38.7 73.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.582 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . 0.451 HD21 HD21 ' E' ' 34' ' ' ASN . 10.0 t-20 -64.61 -45.39 87.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.451 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.93 -43.76 91.7 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -60.96 -45.64 93.93 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.024 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.46 -43.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.451 HD21 HD21 ' E' ' 30' ' ' ASN . 93.9 m-20 -62.31 -45.43 93.25 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.055 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.03 -42.86 99.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 92.4 m -62.14 -42.19 99.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.626 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.9 mt -65.68 -38.15 88.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.95 -43.41 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -40.38 86.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.6 mt -62.46 -42.52 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.3 m -59.35 -43.85 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.41 -42.04 98.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.09 -41.72 98.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.573 ' CD1' HG23 ' A' ' 40' ' ' ILE . 39.7 mt -63.84 -39.41 94.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.91 -43.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.83 -35.87 81.37 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.085 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' E' ' 44' ' ' LEU . 12.4 mt -65.61 -44.18 93.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.914 0.388 . . . . 0.0 110.125 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.1 -43.23 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.333 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.9 -46.65 78.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.464 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.464 ' HB3' HD13 ' D' ' 52' ' ' LEU . 82.6 mmm -64.01 -47.5 80.03 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.076 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . 0.424 HD12 HG23 ' E' ' 47' ' ' ILE . 9.4 mt -68.33 -39.26 82.0 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.109 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.444 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.671 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.601 ' CZ ' HD21 ' E' ' 27' ' ' ASN . 99.3 mtt180 . . . . . 0 CA--C 1.517 -0.301 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.97 -38.74 92.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.601 HD21 ' CZ ' ' B' ' 25' ' ' ARG . 76.8 m-20 -64.16 -43.44 95.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.229 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.49 -44.1 97.68 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.962 -0.755 . . . . 1.94 108.962 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' A' ' 33' ' ' ILE . 49.5 tt0 -61.19 -40.04 92.44 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.809 -1.542 . . . . 2.5 108.284 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -63.77 -44.46 93.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.045 -0.98 . . . . 2.32 110.471 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.36 -47.0 77.96 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.885 -0.726 . . . . 2.3 111.708 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 6.1 t80 -59.87 -52.44 65.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.39 -0.924 . . . . 2.6 109.978 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' HG2' ' A' ' 29' ' ' GLN . 88.0 mt -62.61 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.504 -0.479 . . . . 2.3 111.529 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -58.97 -52.23 66.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.094 -0.642 . . . . 2.3 109.904 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.8 -43.25 80.75 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.392 -0.367 . . . . 2.59 110.904 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HB3' HD22 ' E' ' 37' ' ' LEU . 98.9 m -67.01 -37.41 84.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.57 -0.452 . . . . 2.08 111.179 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' B' ' 36' ' ' CYS . 25.5 mt -60.76 -42.43 97.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.952 -0.758 . . . . 2.1 108.952 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.83 -43.96 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 109.247 -0.649 . . . . 2.45 109.247 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.01 -42.53 99.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.833 -0.347 . . . . 2.36 110.818 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.32 -42.55 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.887 -0.783 . . . . 2.28 108.887 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.33 -43.79 98.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.97 -0.752 . . . . 2.23 108.97 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 45' ' ' ILE . 62.6 mt -61.98 -41.92 98.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.73 -0.214 . . . . 2.18 110.493 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.41 -43.24 96.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.963 -0.754 . . . . 2.45 108.963 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 2.36 110.151 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 42' ' ' LEU . 24.6 mt -61.92 -43.59 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.202 -0.666 . . . . 2.22 109.202 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -39.3 86.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.351 -0.611 . . . . 2.27 109.351 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.39 -42.09 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.799 -0.637 . . . . 2.26 109.821 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.78 -44.26 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 N-CA-C 108.77 -0.826 . . . . 2.55 108.77 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.1 t -60.01 -44.81 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.237 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.539 ' SD ' HD13 ' E' ' 52' ' ' LEU . 73.6 mtm -63.98 -41.6 97.47 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.85 -41.86 95.35 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.826 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.533 HD13 ' SD ' ' B' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.694 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.601 ' CZ ' HD21 ' A' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 CA--C 1.519 -0.239 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.11 -41.28 99.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.593 HD21 ' CZ ' ' C' ' 25' ' ' ARG . 73.3 m-20 -63.23 -40.18 96.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.189 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.54 -44.24 94.78 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' B' ' 33' ' ' ILE . 49.7 tt0 -61.79 -38.33 87.68 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.836 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -64.88 -45.6 85.31 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.986 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.09 -45.01 86.99 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.408 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 6.5 t80 -62.37 -49.92 73.64 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.364 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' B' ' 29' ' ' GLN . 86.0 mt -64.63 -44.14 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.841 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.87 -47.85 83.18 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.499 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.21 -42.93 99.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.227 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 99.3 m -66.37 -38.18 86.99 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.341 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' C' ' 36' ' ' CYS . 25.9 mt -60.16 -42.27 94.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' B' ' 38' ' ' ILE . 28.7 mm -64.1 -43.5 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.323 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.06 -42.54 99.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.47 -42.85 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.78 -42.85 99.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.355 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' B' ' 45' ' ' ILE . 64.4 mt -62.51 -41.21 98.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.4 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.41 -39.63 92.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.017 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 42' ' ' LEU . 23.8 mt -62.25 -42.86 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.07 -38.98 88.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.625 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.72 -41.8 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.24 -44.61 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.901 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.533 ' SD ' HD13 ' A' ' 52' ' ' LEU . 73.6 mtm -64.33 -41.36 96.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.367 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.01 -41.76 95.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.668 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.534 HD13 ' SD ' ' C' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.759 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . 0.593 ' CZ ' HD21 ' B' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 C--O 1.234 0.239 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -63.38 -41.41 98.78 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.604 HD21 ' CZ ' ' D' ' 25' ' ' ARG . 73.0 m-20 -63.13 -40.09 96.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.318 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -63.59 -44.24 94.58 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' C' ' 33' ' ' ILE . 49.7 tt0 -61.78 -38.42 87.97 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 113.535 -1.666 . . . . 0.0 108.836 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -64.72 -45.73 85.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.028 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 -44.9 88.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.266 -0.573 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.421 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 6.5 t80 -62.63 -49.76 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' C' ' 29' ' ' GLN . 86.2 mt -64.69 -44.15 96.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -61.81 -47.98 82.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.07 -42.94 99.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.549 ' HB3' HD22 ' B' ' 37' ' ' LEU . 99.1 m -66.38 -38.44 87.55 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' D' ' 36' ' ' CYS . 25.4 mt -59.97 -42.16 93.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.18 -43.45 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.17 -42.49 99.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.747 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.5 -42.85 97.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.77 -42.86 99.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.529 ' HA ' HD12 ' C' ' 45' ' ' ILE . 63.6 mt -62.5 -41.16 98.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.42 -43.42 98.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.25 -39.59 92.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.122 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.3 mt -62.4 -42.73 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.2 m -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -42.93 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.664 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.69 -41.83 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.407 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.34 -44.63 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.045 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.534 ' SD ' HD13 ' B' ' 52' ' ' LEU . 73.5 mtm -64.13 -41.68 97.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.73 -41.96 95.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.531 HD13 ' SD ' ' D' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.907 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . 0.604 ' CZ ' HD21 ' C' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 121.006 0.431 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.34 -41.32 98.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.418 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.59 HD21 ' CZ ' ' E' ' 25' ' ' ARG . 73.7 m-20 -63.16 -40.11 96.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.254 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.66 -44.12 94.73 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 122.031 0.919 . . . . 0.0 108.541 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' D' ' 33' ' ' ILE . 50.1 tt0 -61.89 -38.42 88.26 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.891 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -64.65 -45.77 85.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.087 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.88 -44.85 88.33 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 6.5 t80 -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.429 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' D' ' 29' ' ' GLN . 86.3 mt -64.7 -44.28 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.682 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -61.71 -48.0 82.75 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.504 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.15 -42.69 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.317 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.539 ' HB3' HD22 ' C' ' 37' ' ' LEU . 96.9 m -66.57 -38.45 87.1 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' E' ' 36' ' ' CYS . 25.7 mt -59.78 -42.16 92.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 28.8 mm -64.32 -43.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.12 -42.49 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.54 -42.81 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.91 -42.91 99.64 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.5 mt -62.33 -41.09 98.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.47 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.36 -39.58 92.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.151 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' D' ' 42' ' ' LEU . 23.9 mt -62.29 -42.83 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -61.14 -38.93 88.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.27 -42.81 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.676 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.77 -41.87 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.388 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.28 -44.65 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.018 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.531 ' SD ' HD13 ' C' ' 52' ' ' LEU . 73.6 mtm -64.11 -41.7 97.15 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.65 -42.06 95.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' E' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.853 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . 0.59 ' CZ ' HD21 ' D' ' 27' ' ' ASN . 99.4 mtt180 . . . . . 0 CA--C 1.518 -0.266 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.11 -41.18 99.3 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.612 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.601 HD21 ' CZ ' ' A' ' 25' ' ' ARG . 73.3 m-20 -63.31 -40.16 96.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.233 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.6 -44.12 94.92 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' E' ' 33' ' ' ILE . 49.6 tt0 -61.97 -38.29 87.98 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.873 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -64.8 -45.67 85.26 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.01 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.91 -44.9 88.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 6.4 t80 -62.59 -49.67 74.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' E' ' 29' ' ' GLN . 86.0 mt -64.9 -44.15 96.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.91 -47.8 83.31 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.479 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -42.93 99.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -66.5 -38.31 86.98 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.546 HD22 ' HB3' ' A' ' 36' ' ' CYS . 26.0 mt -60.05 -42.31 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.0 -43.5 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.18 -42.38 99.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.59 -42.81 97.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.77 -42.9 99.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.407 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' E' ' 45' ' ' ILE . 64.2 mt -62.43 -41.22 98.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.24 -43.48 98.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.3 -39.64 92.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.082 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' E' ' 42' ' ' LEU . 23.9 mt -62.34 -42.94 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.96 -39.02 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.22 -42.86 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.75 -41.82 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.26 -44.69 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.523 ' SD ' HD13 ' D' ' 52' ' ' LEU . 73.6 mtm -64.2 -41.5 97.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.92 -41.72 95.33 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.674 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.539 HD13 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.807 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HE ' HD21 ' E' ' 27' ' ' ASN . 81.8 mtt85 . . . . . 0 CA--C 1.518 -0.276 0 CA-C-O 121.346 0.593 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.06 -39.93 95.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.486 HD21 ' HE ' ' B' ' 25' ' ' ARG . 91.7 m-20 -65.71 -43.35 89.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -62.64 -44.96 94.96 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.365 0.602 . . . . 1.88 109.918 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -63.18 -36.68 84.44 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.649 -1.159 . . . . 2.17 108.841 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.127 -0.942 . . . . 2.6 110.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.25 -47.94 59.12 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.422 -0.511 . . . . 2.37 110.192 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -55.87 -43.24 76.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.002 0.43 . . . . 2.42 111.798 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG12 HG21 ' E' ' 33' ' ' ILE . 94.1 mt -71.16 -43.18 75.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.013 -0.994 . . . . 2.3 110.374 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.35 -49.62 76.88 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.922 -0.581 . . . . 2.2 110.879 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.0 -37.43 85.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.616 -0.434 . . . . 2.49 110.612 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 m -64.4 -41.18 96.78 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.067 -0.653 . . . . 2.48 109.522 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 29.2 mt -66.61 -36.04 81.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.598 -1.183 . . . . 2.02 109.57 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.0 -45.14 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.327 -0.99 . . . . 2.06 108.327 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.71 -40.24 87.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 2.5 109.445 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.644 HG22 HD12 ' B' ' 40' ' ' ILE . 37.3 mm -63.36 -42.27 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.377 -0.971 . . . . 2.29 108.377 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.0 m -60.5 -46.53 89.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.052 -0.721 . . . . 2.18 109.052 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.42 -42.55 99.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.019 -0.363 . . . . 2.37 110.019 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.65 -42.23 92.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 2.32 109.966 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.7 -36.6 84.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.228 -0.442 . . . . 2.2 110.198 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.5 -42.24 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.572 -0.899 . . . . 2.3 108.572 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.03 -37.83 86.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 2.18 109.617 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 47' ' ' ILE . 36.7 mm -64.17 -42.58 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.19 -0.671 . . . . 2.32 109.19 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' B' ' 47' ' ' ILE . 87.2 mt -63.1 -41.79 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 108.882 -0.785 . . . . 2.72 108.882 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.76 -43.97 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.762 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.465 ' CE ' HD22 ' E' ' 52' ' ' LEU . 87.8 mmm -63.12 -41.09 99.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.16 -37.84 88.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD22 ' CE ' ' B' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.875 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.486 ' HE ' HD21 ' A' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.514 -0.422 0 CA-C-O 121.346 0.593 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.77 -43.06 99.79 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.517 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.497 HD21 ' HE ' ' C' ' 25' ' ' ARG . 93.8 m-20 -64.19 -40.93 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.109 0.48 . . . . 0.0 110.215 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -63.98 -45.08 90.64 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.482 0.658 . . . . 0.0 109.354 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -63.84 -35.88 82.09 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.223 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.98 -44.04 93.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.52 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.15 -44.54 75.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.385 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.54 -48.29 79.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.089 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.424 HG21 HG12 ' C' ' 33' ' ' ILE . 97.0 mt -67.6 -43.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.175 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.28 -49.36 77.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.72 -37.83 87.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.44 -44.38 94.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.5 -43.01 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.65 -40.09 93.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 40' ' ' ILE . 37.6 mm -63.37 -42.3 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' C' ' 40' ' ' ILE . 71.1 m -61.05 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.87 98.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.59 -42.27 98.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.682 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.94 -35.99 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.07 -42.31 92.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.89 -37.69 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.614 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 47' ' ' ILE . 36.7 mm -64.21 -42.96 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.419 HG13 HD11 ' C' ' 47' ' ' ILE . 87.4 mt -62.65 -41.67 93.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.05 -43.85 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.481 ' CE ' HD22 ' A' ' 52' ' ' LEU . 87.9 mmm -63.12 -41.05 99.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.254 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.27 -37.99 88.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.48 HD22 ' CE ' ' C' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.864 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . 0.497 ' HE ' HD21 ' B' ' 27' ' ' ASN . 81.8 mtt85 . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.58 -42.89 99.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.485 HD21 ' HE ' ' D' ' 25' ' ' ARG . 93.9 m-20 -64.38 -40.84 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.27 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 11.7 mt -63.98 -45.17 90.24 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.435 0.636 . . . . 0.0 109.307 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -63.71 -36.12 82.8 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.187 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -63.71 -44.3 94.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.01 -44.52 76.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.362 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.55 -48.3 79.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.011 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.424 HG12 HG21 ' B' ' 33' ' ' ILE . 97.1 mt -67.54 -43.11 87.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.14 -49.32 78.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -65.8 -37.71 87.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.208 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.58 -44.56 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.2 -35.64 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.39 -42.91 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.62 -40.1 93.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.633 HD12 HG22 ' B' ' 40' ' ' ILE . 37.6 mm -63.36 -42.33 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.464 ' SG ' HD11 ' D' ' 40' ' ' ILE . 72.0 m -61.31 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.5 -40.53 97.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.05 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.78 -42.39 98.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.754 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.82 -36.09 82.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.332 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.27 92.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.79 -37.8 85.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.602 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.491 HD12 HG22 ' B' ' 47' ' ' ILE . 37.0 mm -64.17 -42.97 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' D' ' 47' ' ' ILE . 87.7 mt -62.63 -41.71 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.92 -43.75 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.48 ' CE ' HD22 ' B' ' 52' ' ' LEU . 87.5 mmm -63.3 -40.94 98.73 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.35 -37.76 88.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE ' ' D' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.567 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . 0.485 ' HE ' HD21 ' C' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.8 -43.01 99.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.474 HD21 ' HE ' ' E' ' 25' ' ' ARG . 94.0 m-20 -64.3 -40.88 96.83 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.246 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 11.6 mt -63.98 -45.15 90.36 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -63.66 -36.17 82.96 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.227 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -63.73 -44.41 93.63 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.58 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.96 -44.41 76.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.378 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.66 -48.11 80.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.959 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.438 HG21 HG12 ' E' ' 33' ' ' ILE . 97.2 mt -67.69 -43.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.32 -48.97 79.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -66.04 -37.84 86.88 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.198 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.58 -44.57 93.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.14 -35.71 81.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.047 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.31 -42.93 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.59 -40.14 93.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.63 HG22 HD12 ' E' ' 40' ' ' ILE . 37.9 mm -63.39 -42.35 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.471 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.4 m -61.22 -45.2 95.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.542 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.53 -40.7 97.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.39 98.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.709 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.7 -36.32 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.254 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.92 -42.23 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 81.3 m -61.92 -37.74 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.559 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.472 HD12 HG22 ' C' ' 47' ' ' ILE . 37.0 mm -64.18 -42.91 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' E' ' 47' ' ' ILE . 86.3 mt -62.72 -41.6 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.06 -43.75 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.487 ' CE ' HD22 ' C' ' 52' ' ' LEU . 87.7 mmm -63.26 -40.87 98.64 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.238 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.46 -37.77 87.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.484 HD22 ' CE ' ' E' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.834 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . 0.474 ' HE ' HD21 ' D' ' 27' ' ' ASN . 81.7 mtt85 . . . . . 0 CA--C 1.516 -0.365 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.54 -43.39 98.94 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.51 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.489 HD21 ' HE ' ' A' ' 25' ' ' ARG . 93.8 m-20 -64.04 -40.82 97.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.213 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 11.7 mt -63.92 -45.3 89.86 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.206 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.8 -44.56 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.409 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.5 -48.34 79.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.438 HG12 HG21 ' D' ' 33' ' ' ILE . 97.3 mt -67.7 -43.05 86.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.072 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.28 -49.3 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -65.82 -37.81 87.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.61 -44.29 94.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.42 -35.56 81.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.043 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.43 -43.09 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.53 -40.08 93.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.63 HD12 HG22 ' D' ' 40' ' ' ILE . 37.6 mm -63.42 -42.32 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' ' 40' ' ' ILE . 71.8 m -61.09 -45.47 94.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.596 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -40.72 98.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.084 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.24 98.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.73 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.99 -36.03 82.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.36 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.91 -37.56 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.477 HG22 HD12 ' A' ' 47' ' ' ILE . 36.5 mm -64.3 -42.99 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.411 HG13 HD11 ' A' ' 47' ' ' ILE . 87.0 mt -62.61 -41.64 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.02 -43.88 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.777 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.484 ' CE ' HD22 ' D' ' 52' ' ' LEU . 87.2 mmm -63.07 -41.0 99.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.39 -37.92 88.44 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.908 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.401 HE22 ' CB ' ' E' ' 26' ' ' GLN . 35.5 mm-40 -66.9 -35.0 79.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.268 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -64.03 -42.83 96.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' N ' HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.67 -45.87 81.25 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 119.967 -0.693 . . . . 2.02 109.682 -179.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.72 -40.75 69.54 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 114.522 -1.217 . . . . 2.01 108.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.455 -1.248 . . . . 2.64 111.036 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.79 -48.6 63.24 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.374 -0.531 . . . . 2.4 111.766 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -58.41 -40.03 81.32 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.523 -0.471 . . . . 2.38 111.251 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -68.24 -43.56 84.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.521 -0.763 . . . . 2.3 109.927 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.7 -46.21 89.19 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.596 -0.441 . . . . 2.2 110.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -62.66 -42.73 99.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.82 -0.352 . . . . 2.4 110.277 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 88.8 m -62.84 -39.26 93.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.448 -0.501 . . . . 2.52 109.805 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' B' ' 36' ' ' CYS . 25.5 mt -65.99 -38.27 88.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.1 109.975 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.24 -43.69 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.919 -0.771 . . . . 1.99 108.919 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.49 -40.47 82.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.33 -0.619 . . . . 2.44 109.33 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.553 HG22 HD12 ' B' ' 40' ' ' ILE . 37.2 mm -63.29 -42.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.664 -0.865 . . . . 2.39 108.664 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' SG ' HD11 ' B' ' 40' ' ' ILE . 73.4 m -60.62 -45.05 95.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.943 -0.762 . . . . 2.18 108.943 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.7 -43.06 99.58 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.669 0.271 . . . . 2.23 110.574 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.99 -42.78 90.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 2.35 109.133 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.55 -39.07 93.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.593 . . . . 2.27 109.617 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.39 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.795 -0.817 . . . . 2.37 108.795 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.95 -39.33 89.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.572 . . . . 2.32 109.669 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.13 -41.63 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.645 -0.707 . . . . 2.13 110.147 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.576 HG23 ' SD ' ' B' ' 50' ' ' MET . 80.0 mt -64.18 -44.22 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.561 -0.745 . . . . 2.66 109.176 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.2 -44.66 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.957 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.522 ' SD ' HG23 ' E' ' 48' ' ' ILE . 47.2 mtt -64.08 -39.1 93.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.226 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.82 -38.77 92.1 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.994 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.091 0.472 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -66.31 -36.96 84.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.012 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.24 -39.35 94.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.45 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 28' ' ' LEU . 0.6 OUTLIER -68.75 -45.76 70.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.021 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.79 -40.14 69.15 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.095 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -63.81 -44.65 92.66 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.464 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -45.04 87.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.76 -43.97 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.769 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.27 -43.57 95.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.63 -47.2 84.79 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.987 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.05 -43.91 98.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 37' ' ' LEU . 76.2 m -61.7 -41.6 97.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.62 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.9 mt -64.21 -38.34 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -62.16 -42.12 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.98 -40.36 88.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.553 HD12 HG22 ' A' ' 40' ' ' ILE . 37.4 mm -63.17 -42.54 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.463 ' SG ' HD11 ' C' ' 40' ' ' ILE . 74.0 m -61.11 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.735 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.09 -41.57 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.18 -42.24 98.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.75 -39.04 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.553 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.27 -39.15 89.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.87 -42.83 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.05 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.9 mt -63.47 -42.62 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.631 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.84 -44.67 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.613 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.576 ' SD ' HG23 ' A' ' 48' ' ' ILE . 46.7 mtt -64.11 -38.83 92.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.183 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.98 -39.09 92.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.184 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 121.098 0.475 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.078 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.401 ' O ' HD13 ' C' ' 31' ' ' LEU . 22.5 m120 -63.33 -39.2 93.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.482 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.417 ' N ' HD23 ' C' ' 28' ' ' LEU . 0.6 OUTLIER -68.69 -45.82 70.65 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.047 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.93 -40.0 69.43 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.036 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -63.87 -44.65 92.46 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.501 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . 0.401 HD13 ' O ' ' C' ' 27' ' ' ASN . 7.5 mp -65.22 -44.95 86.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -60.74 -44.25 96.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.586 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.09 -43.66 95.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.487 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.63 -46.88 86.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.458 ' HB2' HD13 ' B' ' 37' ' ' LEU . 82.7 m -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.714 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.5 mt -64.42 -38.19 90.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mm -62.39 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.04 -40.2 88.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.529 HG22 HD12 ' D' ' 40' ' ' ILE . 36.8 mm -63.36 -42.53 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' D' ' 40' ' ' ILE . 74.0 m -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.709 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.95 -41.38 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.35 -41.89 97.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.25 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.571 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.45 -43.0 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.52 -39.03 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -64.97 -42.76 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.546 HG23 ' SD ' ' D' ' 50' ' ' MET . 81.7 mt -63.54 -42.72 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.642 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.61 -44.87 99.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' B' ' 48' ' ' ILE . 46.3 mtt -63.97 -39.08 93.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.22 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.79 -38.93 92.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.292 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.179 0.514 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . 0.407 ' CB ' HE22 ' E' ' 26' ' ' GLN . 37.2 mm-40 -66.18 -37.21 85.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.26 -39.39 94.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.488 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.417 HD23 ' N ' ' D' ' 28' ' ' LEU . 0.6 OUTLIER -68.69 -45.59 71.26 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.077 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -54.82 -40.3 69.42 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.95 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -63.54 -44.93 92.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.56 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.86 -44.96 88.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.754 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.03 -43.67 95.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.7 -46.64 87.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.097 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.46 -43.48 98.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.456 ' HB2' HD13 ' C' ' 37' ' ' LEU . 85.3 m -62.18 -41.41 98.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.666 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' E' ' 36' ' ' CYS . 27.1 mt -64.33 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.368 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.26 -41.92 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.28 -40.06 89.08 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 40' ' ' ILE . 37.2 mm -63.52 -42.45 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.462 ' SG ' HD11 ' E' ' 40' ' ' ILE . 73.8 m -61.25 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.655 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.47 -42.06 98.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.94 -38.9 92.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.627 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.37 -43.01 97.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.53 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.91 -42.78 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.957 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' E' ' 50' ' ' MET . 81.9 mt -63.55 -42.65 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.743 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.69 -44.8 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.608 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.546 ' SD ' HG23 ' C' ' 48' ' ' ILE . 46.8 mtt -64.02 -39.05 93.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.77 -38.9 92.54 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.178 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 121.07 0.462 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . 0.407 HE22 ' CB ' ' D' ' 26' ' ' GLN . 36.9 mm-40 -66.46 -37.09 84.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.111 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -63.23 -39.68 95.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.427 HD23 ' N ' ' E' ' 28' ' ' LEU . 0.6 OUTLIER -68.3 -45.78 72.1 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -54.8 -40.32 69.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.965 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -63.48 -45.2 91.87 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.73 -44.91 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.55 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.24 -43.51 95.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -62.56 -46.72 87.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -61.43 -43.78 98.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD13 ' D' ' 37' ' ' LEU . 76.3 m -61.89 -41.67 98.16 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.354 -0.539 . . . . 0.0 109.633 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 26.8 mt -64.22 -38.24 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.313 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mm -62.29 -42.02 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.13 -40.26 89.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.525 HG22 HD12 ' A' ' 40' ' ' ILE . 37.3 mm -63.23 -42.4 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 40' ' ' ILE . 74.4 m -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.756 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.19 -41.46 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.76 -39.03 93.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.49 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.42 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.04 -42.79 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 50' ' ' MET . 81.2 mt -63.41 -42.65 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.608 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.83 -44.64 99.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.648 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.554 ' SD ' HG23 ' D' ' 48' ' ' ILE . 47.2 mtt -64.03 -39.03 93.18 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.75 -39.17 93.18 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.982 0.42 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -67.98 -42.52 80.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt -64.14 -46.59 83.41 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.193 -0.669 . . . . 1.9 109.193 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -58.93 -38.62 79.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.551 -1.204 . . . . 2.19 108.357 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.449 HD21 HD21 ' A' ' 34' ' ' ASN . 7.9 t-20 -64.27 -40.21 95.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.707 -1.133 . . . . 2.65 109.848 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.8 -47.75 65.33 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.426 -0.51 . . . . 2.34 111.263 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' HB2' HD21 ' E' ' 30' ' ' ASN . 40.1 m-85 -58.81 -40.34 83.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.386 -0.526 . . . . 2.37 111.241 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.14 -43.69 81.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 2.3 109.955 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.449 HD21 HD21 ' A' ' 30' ' ' ASN . 96.3 m-20 -62.23 -46.53 88.43 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.428 -0.509 . . . . 2.29 110.168 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -63.22 -43.36 98.33 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.188 -0.205 . . . . 2.47 110.652 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 93.7 m -63.57 -39.28 93.99 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.386 -0.526 . . . . 2.42 110.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 ' HB2' ' B' ' 36' ' ' CYS . 27.8 mt -65.57 -39.14 91.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.349 -0.841 . . . . 2.01 109.437 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.1 -44.91 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.891 -0.781 . . . . 2.19 108.891 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.63 -38.13 86.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.659 -0.497 . . . . 2.56 109.659 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.94 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.723 -0.844 . . . . 2.26 108.723 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.74 -40.63 95.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.029 -0.987 . . . . 1.99 109.391 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.67 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.881 -0.414 . . . . 2.34 109.881 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.256 -0.646 . . . . 2.54 109.256 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.97 -39.21 94.0 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.761 -0.654 . . . . 2.24 109.486 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -58.78 -41.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.446 -0.946 . . . . 2.22 108.446 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.73 -36.57 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 2.11 109.294 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.91 -42.73 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 2.27 109.298 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.84 -43.74 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 109.038 -0.727 . . . . 2.92 109.038 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -60.92 -45.22 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.297 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 88.1 mmm -63.67 -40.47 96.9 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.39 -38.71 92.0 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -64.34 -33.12 75.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.981 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' B' ' 26' ' ' GLN . 86.6 m-20 -66.09 -41.28 90.88 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.21 -47.56 79.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -59.26 -37.01 76.56 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.933 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.46 HD21 HD21 ' B' ' 34' ' ' ASN . 7.7 t-20 -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.372 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.92 -44.4 85.26 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.411 ' HB2' HD21 ' A' ' 30' ' ' ASN . 41.1 m-85 -61.16 -44.97 96.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.845 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.09 -43.74 95.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.654 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . 0.46 HD21 HD21 ' B' ' 30' ' ' ASN . 95.6 m-20 -62.52 -46.7 87.22 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.977 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -62.22 -43.75 98.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.475 ' HB2' HD13 ' A' ' 37' ' ' LEU . 90.7 m -63.49 -41.68 98.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.785 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 36' ' ' CYS . 30.2 mt -63.38 -39.4 94.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.987 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.97 -43.14 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.78 -38.66 91.5 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.72 -42.64 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.05 -39.99 94.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.959 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -41.57 99.57 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.79 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.08 -43.43 98.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.15 -36.94 85.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.78 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.78 -41.33 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.68 -36.31 78.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.9 -42.76 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.459 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.96 -44.94 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.107 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.69 -40.53 97.03 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.221 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.39 -38.61 91.65 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -64.01 -32.9 74.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.986 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' C' ' 26' ' ' GLN . 86.6 m-20 -66.39 -41.29 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.409 -0.517 . . . . 0.0 109.713 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 13.2 mt -64.36 -46.85 81.62 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.83 -36.7 77.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.896 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . 0.46 HD21 HD21 ' C' ' 34' ' ' ASN . 7.6 t-20 -65.13 -43.28 92.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.338 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.14 -44.5 84.0 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.425 ' HB2' HD21 ' B' ' 30' ' ' ASN . 40.2 m-85 -61.12 -45.09 96.09 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.712 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.93 -43.84 96.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . 0.46 HD21 HD21 ' C' ' 30' ' ' ASN . 95.7 m-20 -62.39 -46.88 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.045 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.14 -43.7 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.562 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' B' ' 37' ' ' LEU . 91.9 m -63.49 -41.73 98.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.762 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' D' ' 36' ' ' CYS . 28.7 mt -63.46 -39.27 94.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.92 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -43.15 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.82 -38.77 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.53 -42.52 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 96.4 m -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.943 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.12 -41.59 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.713 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 60.2 mt -63.02 -43.43 98.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.1 -37.17 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.6 -41.35 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.62 -36.74 79.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.56 -43.3 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.69 -42.75 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.469 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.98 -45.0 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.085 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.8 -40.41 96.58 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.37 -38.8 92.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.037 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -63.7 -32.79 74.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.026 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' D' ' 26' ' ' GLN . 86.5 m-20 -66.28 -41.31 90.02 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.227 0.537 . . . . 0.0 109.784 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 13.4 mt -64.39 -47.08 80.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.71 -36.96 77.6 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.81 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . 0.451 HD21 HD21 ' D' ' 34' ' ' ASN . 7.7 t-20 -64.79 -43.33 93.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.416 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.21 -44.38 84.04 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.441 ' HB2' HD21 ' C' ' 30' ' ' ASN . 40.6 m-85 -61.19 -44.98 96.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.675 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.04 -43.88 95.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . 0.451 HD21 HD21 ' D' ' 30' ' ' ASN . 95.5 m-20 -62.32 -46.92 86.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.173 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.93 -43.99 97.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' C' ' 37' ' ' LEU . 92.1 m -63.34 -41.75 98.89 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.791 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' E' ' 36' ' ' CYS . 29.1 mt -63.39 -39.26 94.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.06 -43.33 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.72 -38.73 91.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.63 -42.64 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.26 -39.49 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.97 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.99 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.31 -37.08 85.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.56 -41.52 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.48 -36.59 78.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.73 -43.1 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.89 -42.72 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.84 -44.9 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.85 -40.49 96.68 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.199 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.31 -38.75 92.15 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' D' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 . . . . . 0 CA--C 1.52 -0.174 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -63.87 -33.11 74.95 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.073 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' E' ' 26' ' ' GLN . 86.2 m-20 -66.2 -41.53 90.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.433 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 13.2 mt -63.98 -47.19 81.34 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.62 -37.28 78.2 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.808 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . 0.468 HD21 HD21 ' E' ' 34' ' ' ASN . 7.7 t-20 -64.5 -43.48 93.99 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.384 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.11 -44.35 84.6 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . 0.436 ' HB2' HD21 ' D' ' 30' ' ' ASN . 41.1 m-85 -61.05 -45.04 96.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.803 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.11 -43.83 95.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.697 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . 0.468 HD21 HD21 ' E' ' 30' ' ' ASN . 95.8 m-20 -62.29 -46.83 86.99 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -62.09 -43.83 97.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.469 ' HB2' HD13 ' D' ' 37' ' ' LEU . 85.0 m -63.41 -41.82 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.77 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 29.8 mt -63.45 -39.15 93.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.069 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.23 -43.16 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.59 -42.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.2 -39.82 94.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.05 -41.69 99.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.784 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.05 -43.34 98.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.31 -36.78 84.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.8 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.87 -41.29 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 70.7 m -60.74 -36.53 79.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.55 -43.12 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.92 -44.95 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.167 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.2 mmm -63.78 -40.55 96.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.188 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.37 -38.73 92.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.922 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.48 -42.89 70.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.001 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.53 -50.81 72.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.153 0.502 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 11.8 mt -63.19 -39.86 95.86 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.786 -0.82 . . . . 2.05 108.786 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.36 -39.42 75.95 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.245 -1.343 . . . . 2.12 108.211 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -64.24 -41.25 97.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.997 -1.001 . . . . 2.53 110.455 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.35 -47.11 71.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.25 -0.58 . . . . 2.43 111.686 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -60.03 -42.58 94.7 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.442 -0.503 . . . . 2.53 111.323 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 HD12 ' A' ' 37' ' ' LEU . 86.2 mt -69.92 -44.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.8 -0.636 . . . . 2.32 110.943 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -62.71 -48.48 79.06 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.275 -0.57 . . . . 2.21 110.357 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -61.26 -42.0 97.88 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.834 -0.346 . . . . 2.46 110.319 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' CB ' HD13 ' E' ' 37' ' ' LEU . 2.8 m -64.91 -41.71 95.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.104 0.478 . . . . 2.45 110.766 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 33' ' ' ILE . 34.5 mt -66.1 -38.97 89.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.514 -0.766 . . . . 2.21 109.735 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 108.204 -1.036 . . . . 2.09 108.204 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.8 -41.93 87.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.271 -0.64 . . . . 2.3 109.271 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 37' ' ' LEU . 26.3 mt -64.15 -43.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.93 -47.83 84.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.485 -0.931 . . . . 2.4 108.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.66 -43.13 97.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.98 -0.378 . . . . 2.23 109.98 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' E' ' 44' ' ' LEU . 17.0 mt -58.88 -43.06 90.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.305 -0.628 . . . . 2.26 109.305 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' B' ' 43' ' ' LEU . 61.6 mt -64.31 -40.65 96.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.746 -0.661 . . . . 2.37 109.607 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.05 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.18 -0.674 . . . . 2.43 109.18 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -60.93 -37.92 83.97 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.61 -0.723 . . . . 2.46 110.064 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.45 -39.79 83.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.515 -0.766 . . . . 2.25 110.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.555 HG23 ' SD ' ' B' ' 50' ' ' MET . 66.4 mt -66.25 -43.12 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.703 0.763 . . . . 2.4 108.984 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.14 -44.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.494 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' E' ' 48' ' ' ILE . 34.1 mtt -63.69 -43.58 96.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.45 -38.95 78.01 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.256 0.551 . . . . 0.0 109.842 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.625 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.53 -42.93 70.57 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.89 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.82 -46.69 89.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.903 0.382 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.68 -39.45 88.13 Favored 'General case' 0 CA--C 1.493 -1.227 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.97 -37.95 75.14 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.649 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -64.79 -43.02 94.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.71 -45.65 81.96 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.072 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.43 HG22 HD12 ' B' ' 37' ' ' LEU . 90.5 mt -65.91 -44.36 92.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.723 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.12 -46.76 85.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.967 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.433 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.5 m -64.94 -43.99 90.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 40' ' ' ILE . 37.8 mt -64.08 -39.2 93.55 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.22 -42.52 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.0 -41.15 95.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' B' ' 37' ' ' LEU . 26.8 mt -64.39 -43.43 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.43 -41.05 98.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.892 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 44' ' ' LEU . 15.5 mt -61.24 -43.13 99.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.459 ' HB2' HD13 ' C' ' 43' ' ' LEU . 61.6 mt -63.84 -40.98 97.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.54 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.2 -44.15 99.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.51 -37.98 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.831 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.403 HG22 HD12 ' B' ' 51' ' ' LEU . 12.7 mt -66.27 -42.52 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.542 HG23 ' SD ' ' C' ' 50' ' ' MET . 67.7 mt -64.16 -42.27 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 CA-C-O 121.529 0.68 . . . . 0.0 109.535 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.15 -44.29 95.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.593 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.555 ' SD ' HG23 ' A' ' 48' ' ' ILE . 34.9 mtt -64.23 -43.35 95.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.758 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.403 HD12 HG22 ' B' ' 47' ' ' ILE . 8.5 mt -69.75 -39.32 76.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.255 0.55 . . . . 0.0 109.627 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.217 -0.61 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.613 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.517 -0.306 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -70.48 -42.57 71.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.921 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.8 -46.85 88.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.183 0.516 . . . . 0.0 111.518 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.81 -39.51 87.74 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.87 -37.81 74.6 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.658 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -65.1 -43.07 93.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.58 -45.64 82.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.47 -47.43 86.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.289 -0.564 . . . . 0.0 109.998 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.454 HG22 HD12 ' C' ' 37' ' ' LEU . 92.3 mt -65.83 -44.23 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.729 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.07 -46.72 86.14 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.428 ' CB ' HD13 ' B' ' 37' ' ' LEU . 3.6 m -64.85 -43.87 91.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.164 0.507 . . . . 0.0 110.545 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.454 HD12 HG22 ' C' ' 33' ' ' ILE . 36.6 mt -64.19 -39.26 93.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.15 -42.57 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.93 -41.34 96.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' C' ' 37' ' ' LEU . 26.9 mt -64.38 -43.24 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.798 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.53 -44.79 96.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.09 -40.89 98.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.956 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' B' ' 44' ' ' LEU . 15.6 mt -61.46 -43.1 99.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.454 ' HB2' HD13 ' D' ' 43' ' ' LEU . 62.5 mt -63.94 -40.83 97.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.521 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.38 -44.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.8 -37.74 87.9 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.785 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.39 -42.39 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' D' ' 50' ' ' MET . 67.8 mt -64.23 -42.3 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 121.534 0.683 . . . . 0.0 109.524 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.17 -44.08 95.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.542 ' SD ' HG23 ' B' ' 48' ' ' ILE . 34.2 mtt -64.45 -43.43 94.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.69 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.51 -39.87 77.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.659 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.481 -179.659 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.73 -42.51 70.44 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.981 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.87 -46.66 89.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 111.492 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.07 -39.54 86.86 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.67 -37.74 73.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.631 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.07 -43.22 92.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.43 -45.64 83.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.54 -47.32 86.71 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.451 HG22 HD12 ' D' ' 37' ' ' LEU . 90.7 mt -65.82 -44.41 92.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.638 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.94 -46.77 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.57 -41.69 99.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.962 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.426 ' CB ' HD13 ' C' ' 37' ' ' LEU . 4.1 m -64.75 -43.82 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.451 HD12 HG22 ' D' ' 33' ' ' ILE . 36.9 mt -64.29 -39.29 93.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.917 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.22 -42.45 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.01 -41.29 96.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' D' ' 37' ' ' LEU . 26.6 mt -64.34 -43.34 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.804 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.15 -40.96 99.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.953 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' C' ' 44' ' ' LEU . 15.5 mt -61.44 -42.98 99.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.469 ' HB2' HD13 ' E' ' 43' ' ' LEU . 62.4 mt -64.0 -40.93 97.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.515 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.25 -44.01 99.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.612 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.83 -37.67 87.69 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.704 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.59 -42.37 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.541 HG23 ' SD ' ' E' ' 50' ' ' MET . 67.8 mt -64.13 -42.23 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.487 0.66 . . . . 0.0 109.544 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.19 -44.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.672 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.544 ' SD ' HG23 ' C' ' 48' ' ' ILE . 35.4 mtt -64.18 -43.43 95.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.779 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.73 -39.68 76.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.48 -179.752 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.41 -42.7 71.3 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.067 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.74 -46.86 88.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.969 0.414 . . . . 0.0 111.413 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.71 -39.62 88.1 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -57.85 -38.05 74.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.915 -1.493 . . . . 0.0 108.551 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.71 -43.14 94.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.894 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.56 -45.88 81.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.42 -47.26 86.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.04 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.44 HG22 HD12 ' E' ' 37' ' ' LEU . 91.8 mt -65.84 -44.33 92.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.794 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.05 -46.62 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.767 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.75 -41.44 99.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.429 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.6 m -64.85 -44.05 91.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.44 HD12 HG22 ' E' ' 33' ' ' ILE . 38.2 mt -64.21 -39.05 93.18 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.29 -42.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.83 -41.27 95.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.7 mt -64.49 -43.3 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.944 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -61.35 -44.63 96.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.3 -41.18 98.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.91 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' D' ' 44' ' ' LEU . 15.6 mt -61.24 -42.94 99.49 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 43' ' ' LEU . 61.2 mt -64.11 -41.02 97.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.418 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.11 -44.12 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.74 -37.78 87.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.819 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.3 -42.37 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.144 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' A' ' 50' ' ' MET . 68.4 mt -64.38 -42.08 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-O 121.468 0.652 . . . . 0.0 109.435 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -43.96 94.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.664 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.541 ' SD ' HG23 ' D' ' 48' ' ' ILE . 34.7 mtt -64.38 -43.57 94.07 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.57 -39.51 77.33 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 109.695 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.557 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 HH11 ' HB2' ' E' ' 27' ' ' ASN . 57.9 mtm180 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.58 -41.42 96.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -63.04 -46.68 86.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.324 0.583 . . . . 0.0 109.735 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.7 mt -64.26 -41.98 96.69 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 108.767 -0.827 . . . . 2.19 108.767 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -57.64 -41.61 81.75 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 113.644 -1.616 . . . . 2.23 108.006 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.37 -42.98 99.84 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.066 -0.97 . . . . 2.36 110.255 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.27 -45.08 81.73 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.244 -0.582 . . . . 2.34 111.22 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.83 -43.93 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.415 -0.514 . . . . 2.48 111.243 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.56 -44.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.189 -0.46 . . . . 2.37 111.359 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -63.0 -48.17 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.193 -0.603 . . . . 2.33 110.224 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.89 -42.4 99.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.957 -0.297 . . . . 2.39 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.586 ' CB ' HD13 ' E' ' 37' ' ' LEU . 14.4 m -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.29 -0.564 . . . . 2.32 109.92 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' B' ' 36' ' ' CYS . 23.3 mt -64.31 -39.23 93.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.542 -0.754 . . . . 2.19 109.604 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.31 -44.83 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.539 -0.911 . . . . 2.22 108.539 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.47 -42.41 96.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.652 -0.419 . . . . 2.31 110.369 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.553 HD11 ' SG ' ' E' ' 41' ' ' CYS . 35.8 mm -63.49 -42.61 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.298 -0.631 . . . . 2.3 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' HD11 ' B' ' 40' ' ' ILE . 83.1 m -59.26 -45.13 92.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.918 -0.771 . . . . 2.35 108.918 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.05 -43.09 99.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.289 -0.414 . . . . 2.23 110.493 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.0 -43.26 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.696 -0.402 . . . . 2.25 110.547 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 44' ' ' LEU . 80.6 mt -64.05 -40.02 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.506 -0.478 . . . . 2.41 109.837 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.05 -43.58 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 108.996 -0.742 . . . . 2.38 108.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.4 m -63.36 -34.9 78.72 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 115.859 -0.61 . . . . 2.33 110.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -39.47 84.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.478 0.656 . . . . 2.28 110.2 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.909 -1.041 . . . . 2.24 109.646 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.98 -48.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.054 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.427 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.4 mmm -62.35 -47.78 82.71 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.129 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.35 -39.24 78.24 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.273 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.221 -0.429 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.619 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 25' ' ' ARG . 58.0 mtm180 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.16 -41.79 97.0 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.39 -44.62 94.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.339 0.59 . . . . 0.0 110.49 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 32' ' ' PHE . 25.1 mt -65.97 -42.27 90.12 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.06 -38.43 76.3 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.673 -1.603 . . . . 0.0 108.75 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.52 -44.09 91.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.478 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.75 -43.76 87.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 28' ' ' LEU . 15.5 m-85 -61.11 -47.52 85.88 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.386 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.75 -44.52 93.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.67 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.57 -47.48 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -63.22 -42.28 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.587 ' CB ' HD13 ' A' ' 37' ' ' LEU . 14.4 m -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.324 -0.551 . . . . 0.0 109.628 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.593 HD13 ' CB ' ' C' ' 36' ' ' CYS . 22.7 mt -62.56 -39.58 94.1 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.884 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.2 -43.44 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.62 -42.19 98.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.053 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.542 HD11 ' SG ' ' A' ' 41' ' ' CYS . 36.1 mm -63.83 -42.91 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' C' ' 40' ' ' ILE . 80.2 m -59.76 -43.77 94.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.405 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 44' ' ' LEU . 81.2 mt -63.81 -40.87 97.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.4 -43.51 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -63.33 -35.5 80.58 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.898 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.44 -42.19 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.78 -42.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.82 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.53 -46.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 81.4 mmm -63.37 -48.07 79.46 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.795 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.6 -39.52 77.21 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.345 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.599 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 25' ' ' ARG . 58.2 mtm180 . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -64.43 -41.58 96.5 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.442 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.411 ' HB2' HH11 ' D' ' 25' ' ' ARG . 36.4 t30 -63.57 -44.47 93.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.319 0.581 . . . . 0.0 110.427 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.0 -42.12 90.17 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.21 -38.68 77.27 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.595 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.19 -44.41 92.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.46 -43.7 89.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.908 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.29 -47.53 85.57 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.244 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.78 -44.4 93.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.712 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.65 -47.26 82.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.408 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.53 -42.14 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.077 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.593 ' CB ' HD13 ' B' ' 37' ' ' LEU . 13.9 m -62.73 -43.88 97.67 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.623 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' D' ' 36' ' ' CYS . 22.8 mt -62.52 -39.49 93.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.895 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.3 -43.46 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.77 -41.96 98.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.064 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 41' ' ' CYS . 36.4 mm -63.94 -42.67 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' D' ' 40' ' ' ILE . 80.7 m -59.87 -43.83 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.82 -41.62 99.39 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.541 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.84 -43.16 99.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 44' ' ' LEU . 80.8 mt -63.73 -40.87 97.81 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.5 -43.45 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.41 -35.4 80.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.856 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.45 -42.11 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.9 -42.55 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.9 t -68.48 -46.02 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.904 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.433 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.9 mmm -63.54 -48.19 78.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.742 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.72 -39.34 76.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.327 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.583 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . 0.411 HH11 ' HB2' ' C' ' 27' ' ' ASN . 58.2 mtm180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.52 -41.66 96.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.403 ' HB2' HH11 ' E' ' 25' ' ' ARG . 35.2 t30 -63.42 -44.39 94.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.284 0.564 . . . . 0.0 110.501 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 23.6 mt -66.07 -42.35 89.55 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.2 -38.29 76.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.701 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.3 -44.35 91.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.493 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.55 -43.83 88.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.734 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.25 -47.53 85.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.369 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.2 mt -65.66 -44.52 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.66 -47.4 81.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.47 -42.05 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.08 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.584 ' CB ' HD13 ' C' ' 37' ' ' LEU . 13.4 m -62.58 -44.13 97.09 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.546 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.59 HD13 ' CB ' ' E' ' 36' ' ' CYS . 23.6 mt -62.49 -39.28 92.95 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.822 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.47 -43.57 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.972 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.56 HD11 ' SG ' ' C' ' 41' ' ' CYS . 36.1 mm -63.87 -42.86 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' E' ' 40' ' ' ILE . 83.0 m -59.72 -44.24 93.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.54 -41.63 99.01 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.74 -43.38 98.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' D' ' 44' ' ' LEU . 80.9 mt -63.83 -40.84 97.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.41 -43.42 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.48 -35.45 80.5 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.925 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.31 -42.24 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.682 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.31 -46.22 81.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.963 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.431 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.6 mmm -63.46 -48.2 78.68 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.658 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.65 -39.2 77.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.387 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' E' ' 25' ' ' ARG . 58.4 mtm180 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.42 -41.74 96.44 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.404 ' HB2' HH11 ' A' ' 25' ' ' ARG . 35.5 t30 -63.45 -44.19 95.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.474 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.44 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 24.5 mt -66.35 -42.14 88.53 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.15 -38.66 77.02 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.561 -1.654 . . . . 0.0 108.623 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.22 -44.32 92.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.618 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.49 -43.89 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.665 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -60.98 -47.61 85.65 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.411 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.68 -44.56 93.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.747 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.55 -47.49 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.327 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -63.44 -41.9 98.66 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.184 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.59 ' CB ' HD13 ' D' ' 37' ' ' LEU . 12.6 m -62.85 -43.86 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.596 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.586 HD13 ' CB ' ' A' ' 36' ' ' CYS . 23.4 mt -62.4 -39.72 94.18 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.776 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.07 -43.46 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.63 -42.28 98.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.985 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.562 HD11 ' SG ' ' D' ' 41' ' ' CYS . 36.9 mm -63.8 -42.75 96.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 40' ' ' ILE . 79.6 m -59.73 -44.0 93.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.71 -41.62 99.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.469 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.87 -43.13 99.61 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.426 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' E' ' 44' ' ' LEU . 80.5 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.36 -43.25 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.68 -35.39 80.38 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.944 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.45 -42.34 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.7 -42.59 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.645 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.59 -46.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.893 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.442 ' HB3' HD13 ' D' ' 52' ' ' LEU . 81.4 mmm -63.62 -48.07 78.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.582 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.56 -39.45 77.39 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.475 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.487 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.682 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 . . . . . 0 N--CA 1.465 0.311 0 CA-C-O 121.16 0.505 . . . . 0.0 109.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -61.1 -41.57 96.92 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.494 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.22 -44.72 91.03 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 22.6 mt -61.56 -43.69 98.4 Favored 'General case' 0 CA--C 1.497 -1.059 0 N-CA-C 108.552 -0.907 . . . . 1.96 108.552 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.449 HE22 ' NE2' ' E' ' 29' ' ' GLN . 56.5 tt0 -58.76 -39.46 81.04 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 113.501 -1.681 . . . . 2.15 109.07 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -64.35 -40.98 96.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.791 -1.095 . . . . 2.61 110.415 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.91 -48.1 59.88 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 120.204 -0.598 . . . . 2.44 111.367 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -59.39 -42.48 91.82 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.607 -0.437 . . . . 2.51 111.912 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' A' ' 29' ' ' GLN . 79.2 mt -70.1 -44.73 77.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.738 -0.665 . . . . 2.33 110.793 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.41 -46.57 87.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.064 -0.654 . . . . 2.19 110.215 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.25 -43.26 99.24 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.908 -0.317 . . . . 2.46 110.209 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' CB ' HD13 ' E' ' 37' ' ' LEU . 10.9 m -63.68 -39.98 95.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.038 0.446 . . . . 2.53 110.193 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' CB ' ' B' ' 36' ' ' CYS . 32.0 mt -66.12 -37.97 87.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.228 -0.896 . . . . 2.09 109.886 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.34 -44.81 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 N-CA-C 108.588 -0.893 . . . . 2.03 108.588 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.23 -41.55 84.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.383 -0.599 . . . . 2.41 109.383 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 37' ' ' LEU . 25.9 mt -63.58 -43.56 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.919 -0.4 . . . . 2.34 109.919 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.7 m -61.12 -46.48 90.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.002 -0.74 . . . . 2.33 109.002 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.94 -42.42 98.16 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.558 -0.534 . . . . 2.3 109.558 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' E' ' 44' ' ' LEU . 10.3 mt -60.71 -42.17 96.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.255 -0.646 . . . . 2.2 109.255 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.491 ' HB2' HD13 ' B' ' 43' ' ' LEU . 14.0 mt -63.85 -40.6 96.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.888 -0.412 . . . . 2.38 109.888 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.74 -43.74 96.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.306 0.574 . . . . 2.53 109.569 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -65.36 -34.55 78.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.496 -0.775 . . . . 2.34 110.124 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.39 -40.89 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 2.34 109.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.74 -40.19 87.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 114.956 -1.02 . . . . 2.42 108.946 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.55 -44.05 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.1 mmm -65.33 -40.55 93.83 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.5 mt -64.46 -41.18 96.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 . . . . . 0 CA--C 1.517 -0.297 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.89 -42.5 93.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.338 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.13 -43.47 95.16 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 122.356 1.074 . . . . 0.0 108.276 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.444 ' NE2' HE22 ' C' ' 29' ' ' GLN . 56.2 tt0 -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.039 -1.891 . . . . 0.0 109.265 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -63.95 -44.81 91.68 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.799 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.19 -45.42 76.99 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.345 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.91 -47.07 88.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.292 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.36 -44.3 90.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.705 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -63.25 -46.28 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.423 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.54 ' CB ' HD13 ' A' ' 37' ' ' LEU . 8.5 m -64.13 -41.88 97.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.047 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' C' ' 36' ' ' CYS . 32.7 mt -64.33 -38.58 91.56 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.37 -43.14 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.98 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.6 mt -63.87 -43.58 97.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.307 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.22 -41.34 99.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 44' ' ' LEU . 9.6 mt -62.2 -42.08 98.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.279 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.7 mt -63.62 -41.04 98.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.015 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.26 -44.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.81 -34.3 78.03 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.043 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.06 -41.82 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.82 -44.5 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.69 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.3 mmm -64.16 -41.81 97.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.394 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' B' ' 52' ' ' LEU . 10.8 mt -64.5 -41.03 96.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' B' ' 51' ' ' LEU . 3.7 mp . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.14 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 . . . . . 0 CA--C 1.517 -0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.12 -42.35 94.6 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.365 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.62 -41.08 96.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.23 -43.78 93.88 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.459 ' NE2' HE22 ' D' ' 29' ' ' GLN . 56.1 tt0 -59.31 -38.27 79.86 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.184 -1.826 . . . . 0.0 109.316 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -64.05 -44.67 91.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.21 -45.16 77.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.279 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.86 -47.48 86.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.376 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' C' ' 29' ' ' GLN . 84.5 mt -66.29 -44.32 91.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.79 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.06 -46.28 88.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.33 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.17 -42.8 99.61 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.992 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.549 ' CB ' HD13 ' B' ' 37' ' ' LEU . 9.0 m -64.09 -41.79 97.16 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.998 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.0 mt -64.31 -38.29 90.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.02 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.55 -43.01 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.19 -40.8 91.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' C' ' 37' ' ' LEU . 25.3 mt -63.91 -43.66 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.116 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 92.2 m -62.04 -43.49 98.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' B' ' 44' ' ' LEU . 10.0 mt -62.09 -41.98 98.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.174 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.9 mt -63.64 -41.16 98.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.21 -44.24 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -64.88 -34.38 78.26 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.963 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.04 -43.39 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.24 -41.53 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.84 -44.47 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.597 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmm -64.31 -41.37 96.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' C' ' 52' ' ' LEU . 10.8 mt -64.6 -40.71 96.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' C' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.216 -0.667 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 . . . . . 0 CA--C 1.516 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.86 -42.53 93.87 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -64.61 -40.65 95.88 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.599 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.4 -43.89 93.01 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . 0.459 HE22 ' NE2' ' C' ' 29' ' ' GLN . 56.3 tt0 -59.13 -38.26 79.2 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.085 -1.871 . . . . 0.0 109.264 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.14 -44.76 91.17 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.637 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.33 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.76 -47.5 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.281 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' D' ' 29' ' ' GLN . 85.4 mt -65.98 -44.4 92.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.834 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.04 -46.34 88.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.33 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' C' ' 37' ' ' LEU . 8.9 m -64.2 -41.85 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.049 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.55 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.3 mt -64.3 -38.4 90.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.52 -42.99 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' D' ' 37' ' ' LEU . 25.4 mt -63.79 -43.61 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.183 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.94 -43.61 98.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.32 -41.59 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 44' ' ' LEU . 9.9 mt -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.238 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.455 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.8 mt -63.66 -41.1 98.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.902 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.29 -44.52 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.34 -34.63 78.59 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.238 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -63.82 -43.69 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.77 -41.74 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.74 -44.4 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.674 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 38.7 mmm -64.45 -41.41 96.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' D' ' 52' ' ' LEU . 10.9 mt -64.57 -40.84 96.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' D' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.938 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 . . . . . 0 CA--C 1.518 -0.272 0 CA-C-O 121.052 0.454 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.04 -42.39 94.34 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.309 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.76 -40.87 96.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.14 0.495 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 mt -64.25 -43.74 93.95 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . 0.449 ' NE2' HE22 ' A' ' 29' ' ' GLN . 56.1 tt0 -59.23 -38.24 79.5 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.2 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.0 -44.84 91.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.877 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.15 -45.23 77.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.33 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.12 -47.03 88.14 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.383 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' E' ' 29' ' ' GLN . 85.2 mt -66.44 -44.43 90.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.687 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.33 -46.01 88.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.418 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -62.16 -42.79 99.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.544 ' CB ' HD13 ' D' ' 37' ' ' LEU . 8.2 m -64.18 -41.95 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.983 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.8 mt -64.19 -38.44 91.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.069 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.43 -42.9 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.9 -40.85 90.18 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.0 mt -63.99 -43.68 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.243 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.0 -43.73 98.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.897 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.26 -41.4 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' D' ' 44' ' ' LEU . 9.9 mt -61.98 -42.13 98.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.293 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 43' ' ' LEU . 14.0 mt -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.08 -44.49 97.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.72 -34.24 77.86 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.092 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.14 -43.26 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.18 -41.75 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.066 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.96 -44.28 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.576 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 37.6 mmm -64.57 -41.32 96.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' E' ' 52' ' ' LEU . 10.8 mt -64.53 -41.05 96.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' E' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.642 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.045 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.528 0.68 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -64.92 -36.4 84.24 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.733 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.13 -44.0 93.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.44 -43.48 93.12 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-O 121.969 0.89 . . . . 1.88 108.874 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.453 ' HG2' HD12 ' A' ' 33' ' ' ILE . 56.7 tt0 -60.44 -38.51 84.38 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.451 -1.704 . . . . 2.56 108.612 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.2 -42.13 93.86 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.822 -1.081 . . . . 2.36 110.64 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -49.34 70.59 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.838 -0.745 . . . . 2.3 111.893 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 7.4 t80 -57.8 -52.32 65.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.549 -0.86 . . . . 2.67 109.704 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.453 HD12 ' HG2' ' A' ' 29' ' ' GLN . 84.0 mt -61.93 -45.51 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.574 -0.45 . . . . 2.26 111.49 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -59.02 -52.15 66.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.041 -0.664 . . . . 2.27 109.827 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -57.52 -43.69 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.776 -0.369 . . . . 2.65 110.919 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.57 ' HB3' HD22 ' E' ' 37' ' ' LEU . 95.1 m -66.29 -36.51 83.14 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.291 -0.563 . . . . 2.12 111.175 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' B' ' 36' ' ' CYS . 24.4 mt -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 2.04 109.397 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.81 -43.79 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 N-CA-C 109.166 -0.679 . . . . 2.5 109.166 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.74 -41.74 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.531 -0.304 . . . . 2.35 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.13 -42.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.227 -0.657 . . . . 2.24 109.227 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.13 -43.02 99.52 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.774 -0.824 . . . . 2.31 108.774 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.85 -42.1 99.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.914 -0.402 . . . . 2.18 109.914 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.34 -43.17 92.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.146 -0.687 . . . . 2.36 109.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.21 -38.83 92.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 2.42 109.663 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.97 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.271 -0.64 . . . . 2.24 109.271 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.99 -38.68 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.401 -0.592 . . . . 2.31 109.401 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.71 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.736 -0.665 . . . . 2.38 109.563 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.537 HG23 ' SD ' ' B' ' 50' ' ' MET . 78.8 mt -64.54 -44.12 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 115.554 -0.748 . . . . 2.53 109.163 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.9 -44.49 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.547 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HG23 ' E' ' 48' ' ' ILE . 43.2 mtt -63.9 -39.01 93.19 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.09 -38.89 92.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.904 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.286 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.32 -39.81 95.59 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.209 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.79 -39.34 93.93 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -63.14 -43.44 98.36 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.452 ' HG2' HD12 ' B' ' 33' ' ' ILE . 57.3 tt0 -60.47 -38.79 85.38 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 113.191 -1.822 . . . . 0.0 108.726 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.95 -43.02 94.05 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.5 -46.75 81.6 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.633 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.438 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 7.9 t80 -61.38 -48.98 78.8 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.331 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.452 HD12 ' HG2' ' B' ' 29' ' ' GLN . 81.8 mt -64.37 -44.29 97.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.465 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.03 -48.55 81.27 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.396 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.388 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.1 m -65.95 -37.48 86.12 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.203 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' C' ' 36' ' ' CYS . 24.7 mt -60.59 -41.99 95.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' B' ' 38' ' ' ILE . 29.9 mm -64.02 -43.34 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.55 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.06 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.81 -41.77 98.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.212 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.65 -40.42 96.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.077 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.32 -42.95 99.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.58 -38.77 92.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.592 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -42.62 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.21 -38.63 87.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.39 -42.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 ' SD ' ' C' ' 50' ' ' MET . 79.8 mt -63.8 -42.69 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.678 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.3 -44.45 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.537 ' SD ' HG23 ' A' ' 48' ' ' ILE . 43.6 mtt -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.07 -38.78 92.29 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.66 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.959 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.44 -39.76 95.34 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.144 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.29 -43.4 97.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' C' ' 33' ' ' ILE . 57.0 tt0 -60.51 -38.58 84.82 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.182 -1.827 . . . . 0.0 108.786 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.07 -43.06 93.47 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.62 -46.71 81.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.61 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.441 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 7.9 t80 -61.29 -48.9 79.28 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.377 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.466 HD12 ' HG2' ' C' ' 29' ' ' GLN . 81.4 mt -64.46 -44.32 96.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.482 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -61.08 -48.51 81.35 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.0 -43.6 98.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.361 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.557 ' HB3' HD22 ' B' ' 37' ' ' LEU . 95.5 m -65.73 -37.55 86.71 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.244 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' D' ' 36' ' ' CYS . 24.9 mt -60.6 -42.0 95.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.02 -43.41 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.615 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.09 -43.02 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.58 -41.89 98.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.159 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.59 -40.4 96.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.061 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.49 -42.87 99.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.657 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -42.63 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.15 -38.81 87.75 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.19 -42.81 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.359 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.515 HG23 ' SD ' ' D' ' 50' ' ' MET . 80.3 mt -63.86 -42.54 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.687 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.37 -44.44 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.517 ' SD ' HG23 ' B' ' 48' ' ' ILE . 43.3 mtt -63.93 -39.02 93.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.15 -38.96 92.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.921 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.28 -39.69 95.28 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.218 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.01 -39.24 94.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.15 -43.46 98.26 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' D' ' 33' ' ' ILE . 57.1 tt0 -60.52 -38.77 85.49 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.127 -1.851 . . . . 0.0 108.666 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.04 -43.04 93.68 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.48 -46.75 81.7 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.616 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.445 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 7.8 t80 -61.3 -48.89 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.357 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' D' ' 29' ' ' GLN . 81.2 mt -64.51 -44.23 96.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -61.09 -48.52 81.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.409 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.06 -43.51 98.78 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' C' ' 37' ' ' LEU . 94.1 m -65.77 -37.57 86.68 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' E' ' 36' ' ' CYS . 24.8 mt -60.63 -42.01 96.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.08 -43.32 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.09 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.53 -41.85 97.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.238 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.66 -40.39 96.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.083 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.4 -43.04 99.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.46 -38.85 92.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.685 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.99 -42.66 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.1 -38.75 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.4 -42.61 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.516 HG23 ' SD ' ' E' ' 50' ' ' MET . 80.3 mt -63.87 -42.61 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.694 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.3 -44.47 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.37 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.515 ' SD ' HG23 ' C' ' 48' ' ' ILE . 43.6 mtt -63.82 -39.19 93.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.15 -38.86 92.59 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.13 -39.73 95.55 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -62.9 -39.3 94.08 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.16 -43.49 98.15 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . 0.462 ' HG2' HD12 ' E' ' 33' ' ' ILE . 57.3 tt0 -60.39 -38.92 85.49 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 113.143 -1.844 . . . . 0.0 108.711 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 29' ' ' GLN . 5.5 m120 -64.78 -43.27 93.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.493 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -46.82 81.79 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.669 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . 0.442 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 7.9 t80 -61.22 -48.92 79.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.328 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.462 HD12 ' HG2' ' E' ' 29' ' ' GLN . 81.4 mt -64.51 -44.19 96.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.544 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -61.14 -48.42 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.388 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.13 -43.62 98.59 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.346 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' D' ' 37' ' ' LEU . 95.5 m -65.74 -37.57 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 36' ' ' CYS . 25.0 mt -60.62 -41.99 95.94 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.58 -42.25 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.04 -42.94 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 87.2 m -61.69 -41.91 98.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.209 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.57 -40.39 96.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.41 -42.84 99.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.6 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.621 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mm -62.95 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.25 -38.72 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.28 -42.83 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.314 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.509 HG23 ' SD ' ' A' ' 50' ' ' MET . 80.3 mt -63.77 -42.63 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.724 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.35 -44.34 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.363 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.516 ' SD ' HG23 ' D' ' 48' ' ' ILE . 43.5 mtt -63.87 -39.16 93.54 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.281 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.13 -38.74 92.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.984 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.023 0.439 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -68.45 -32.93 73.28 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.699 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.45 -42.44 98.65 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.532 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.29 -41.93 89.08 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 108.301 -1.0 . . . . 2.22 108.301 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.54 -42.34 78.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.765 -1.561 . . . . 1.92 107.342 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -63.23 -43.38 98.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.532 -1.213 . . . . 2.55 110.944 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.71 -45.57 78.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.113 -0.635 . . . . 2.5 112.123 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.6 -45.24 94.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 2.48 111.889 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.95 -44.84 81.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.326 -0.55 . . . . 2.47 111.362 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 34' ' ' ASN . 12.4 m120 -63.48 -46.14 87.55 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.06 -0.656 . . . . 2.24 110.457 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.81 -41.35 97.65 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.707 -0.397 . . . . 2.21 110.331 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 92.3 m -66.08 -39.0 89.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.012 -0.675 . . . . 2.5 110.303 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 40' ' ' ILE . 56.0 mt -67.15 -39.62 86.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.708 -0.479 . . . . 2.4 109.708 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.86 -44.36 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 108.319 -0.993 . . . . 1.99 108.319 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.89 -41.09 77.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.636 . . . . 2.22 109.284 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 37' ' ' LEU . 32.3 mt -63.1 -43.13 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.813 -0.81 . . . . 2.41 108.813 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.4 m -57.77 -47.75 81.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.163 -0.68 . . . . 2.29 109.163 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.02 -43.82 98.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.693 0.283 . . . . 2.26 110.257 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.82 -41.6 87.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 2.36 109.054 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.508 ' CD1' HG23 ' B' ' 40' ' ' ILE . 67.4 mt -64.14 -39.0 93.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 2.21 109.477 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.6 mm -62.38 -44.4 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.059 0 N-CA-C 109.097 -0.705 . . . . 2.36 109.097 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -57.43 -42.81 83.11 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.771 -0.649 . . . . 2.54 109.445 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 HG13 ' E' ' 48' ' ' ILE . 2.8 mt -67.3 -39.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.499 -0.773 . . . . 2.11 110.692 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 52' ' ' LEU . 22.5 mt -61.0 -46.46 96.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 N-CA-C 108.417 -0.957 . . . . 2.55 108.417 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.72 -42.86 93.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.338 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' E' ' 52' ' ' LEU . 18.0 mtt -65.49 -40.46 93.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.176 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -72.33 -29.04 63.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' B' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.444 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.043 0.449 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.2 -37.27 83.38 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.382 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.07 -42.61 94.94 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' B' ' 28' ' ' LEU . 19.4 mt -65.78 -41.98 91.33 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.77 -39.19 76.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.888 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -65.36 -45.7 83.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.158 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -45.02 89.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.35 -49.26 77.67 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.127 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.69 -45.25 92.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.773 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.75 -45.18 91.04 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.3 -41.99 98.98 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.934 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 87.9 m -65.19 -40.64 94.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' B' ' 40' ' ' ILE . 56.7 mt -65.62 -40.11 92.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 109.91 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.23 -41.77 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.33 -40.94 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 31.7 mt -62.86 -43.09 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' C' ' 40' ' ' ILE . 63.1 m -59.14 -45.1 91.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.632 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.91 -41.6 99.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.491 ' CD1' HG23 ' C' ' 40' ' ' ILE . 66.1 mt -64.09 -39.0 93.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.475 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 48' ' ' ILE . 5.4 mm -62.59 -43.2 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.79 -42.53 89.28 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' A' ' 48' ' ' ILE . 2.8 mt -66.95 -40.21 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.723 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.657 ' O ' HD12 ' B' ' 52' ' ' LEU . 21.8 mt -60.86 -45.32 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.18 -42.77 88.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 52' ' ' LEU . 17.9 mtt -65.42 -40.49 93.4 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.096 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -72.63 -28.56 62.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.695 HD11 ' SD ' ' C' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.656 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -66.93 -37.37 84.19 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.91 -42.56 94.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 18.9 mt -65.82 -42.08 91.05 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.56 -39.52 76.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.673 -1.603 . . . . 0.0 107.927 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -65.04 -45.75 84.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.206 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.37 -44.68 90.63 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.57 -49.46 76.55 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.033 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.61 -44.94 93.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.824 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.06 -44.91 91.0 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.895 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 87.0 m -65.32 -40.52 93.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' C' ' 40' ' ' ILE . 56.8 mt -65.74 -39.93 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.47 -41.62 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.44 -40.72 87.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' C' ' 37' ' ' LEU . 31.0 mt -63.09 -42.98 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.488 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.5 m -59.06 -45.21 91.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.806 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.76 -41.65 99.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.449 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.49 -41.54 97.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.498 ' CD1' HG23 ' D' ' 40' ' ' ILE . 66.1 mt -64.08 -39.16 93.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.391 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' C' ' 48' ' ' ILE . 5.5 mm -62.51 -43.12 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -58.89 -42.59 89.88 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' B' ' 48' ' ' ILE . 2.8 mt -66.91 -40.44 85.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.654 ' O ' HD12 ' C' ' 52' ' ' LEU . 22.0 mt -60.69 -45.27 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.27 -42.72 88.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.695 ' SD ' HD11 ' B' ' 52' ' ' LEU . 18.4 mtt -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.186 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -72.78 -28.74 62.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' D' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 117.616 -1.183 . . . . 0.0 109.775 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.969 0.414 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.1 -37.39 83.84 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.02 -42.66 94.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 19.2 mt -65.56 -42.23 92.08 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.957 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -65.23 -45.72 83.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.132 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -44.75 90.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.49 -49.49 76.54 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.102 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.47 -45.09 93.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.826 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -64.0 -45.06 90.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.826 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.38 -41.64 98.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.913 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 87.2 m -65.6 -40.41 92.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' D' ' 40' ' ' ILE . 56.9 mt -65.88 -39.86 91.06 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.4 -41.7 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.44 -40.79 87.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' D' ' 37' ' ' LEU . 30.9 mt -63.02 -43.07 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' E' ' 40' ' ' ILE . 63.5 m -59.15 -45.03 92.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.795 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.95 -41.5 99.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' E' ' 40' ' ' ILE . 66.5 mt -64.01 -39.09 93.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' D' ' 48' ' ' ILE . 5.5 mm -62.53 -43.12 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.81 -42.77 89.91 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.511 HD11 HG13 ' C' ' 48' ' ' ILE . 2.8 mt -66.68 -40.45 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.658 ' O ' HD12 ' D' ' 52' ' ' LEU . 21.7 mt -60.68 -45.36 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.2 -42.71 88.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.215 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.686 ' SD ' HD11 ' C' ' 52' ' ' LEU . 17.9 mtt -65.43 -40.3 93.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.162 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -72.76 -28.66 62.74 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' E' ' 50' ' ' MET . 3.4 mt . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.681 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 . . . . . 0 C--O 1.232 0.178 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.11 -37.2 83.48 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.132 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.08 -42.75 95.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.194 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 19.8 mt -65.56 -42.12 92.19 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.7 -39.26 76.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 113.688 -1.596 . . . . 0.0 107.937 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -65.34 -45.69 83.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.173 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.32 -44.91 90.08 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.307 -0.557 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -61.41 -49.14 78.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.077 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.82 -45.04 92.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.821 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.81 -45.14 90.97 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.35 -41.85 98.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 87.2 m -65.42 -40.61 93.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.1 mt -65.71 -39.79 91.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.36 -41.82 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.35 -40.91 87.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 31.0 mt -62.9 -43.09 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.1 m -59.2 -44.97 92.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.738 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.98 -41.8 99.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.495 ' CD1' HG23 ' A' ' 40' ' ' ILE . 66.4 mt -64.18 -39.15 93.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' E' ' 48' ' ' ILE . 5.4 mm -62.43 -43.3 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -58.76 -42.45 88.91 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.508 HD11 HG13 ' D' ' 48' ' ' ILE . 2.8 mt -66.93 -40.37 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.773 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.656 ' O ' HD12 ' E' ' 52' ' ' LEU . 21.9 mt -60.8 -45.18 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.12 -42.95 88.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' D' ' 52' ' ' LEU . 17.8 mtt -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.197 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' A' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 117.542 -1.218 . . . . 0.0 109.766 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.943 0.401 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -65.38 -34.72 78.98 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.31 -42.16 98.99 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.44 -42.85 99.4 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 108.118 -1.068 . . . . 2.04 108.118 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -59.97 -40.25 88.42 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 113.994 -1.457 . . . . 2.3 108.166 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -64.01 -43.07 96.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.366 -0.834 . . . . 2.43 110.909 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.71 -46.21 72.89 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.276 -0.57 . . . . 2.39 110.609 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.96 -43.22 95.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.941 0.401 . . . . 2.44 111.586 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 33' ' ' ILE . 83.9 mt -70.46 -43.82 77.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.06 -0.518 . . . . 2.29 110.781 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.98 -50.05 74.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.14 -0.482 . . . . 2.32 110.524 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -63.73 -41.97 97.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.314 -0.403 . . . . 2.49 110.878 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD13 ' E' ' 37' ' ' LEU . 62.7 m -65.01 -42.28 94.58 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.326 -0.55 . . . . 2.34 110.829 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.3 mt -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.584 -0.525 . . . . 2.18 109.584 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.51 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.197 -1.038 . . . . 2.2 108.197 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.56 -39.68 91.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.909 -0.587 . . . . 2.34 109.853 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.26 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.619 -0.882 . . . . 2.34 108.619 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.07 -42.21 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.247 -0.888 . . . . 2.17 109.114 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.34 -42.38 99.34 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.72 -0.474 . . . . 2.16 109.72 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.5 -42.97 93.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.879 -0.786 . . . . 2.44 108.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.14 -39.17 93.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.508 -0.553 . . . . 2.34 109.508 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.1 -43.38 97.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 109.146 -0.687 . . . . 2.24 109.146 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -58.22 -40.52 81.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 2.31 109.802 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.7 -41.65 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.088 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.72 -46.09 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 N-CA-C 108.282 -1.007 . . . . 2.57 108.282 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.76 -46.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.302 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.439 ' HB3' HD11 ' E' ' 51' ' ' LEU . 81.8 mmm -63.97 -42.0 97.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -80.09 -21.45 43.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.233 0.539 . . . . 0.0 110.244 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' B' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.109 0.48 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.14 -37.86 88.99 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.55 -39.98 93.05 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mt -63.13 -43.04 99.51 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.46 -38.53 84.52 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.711 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -64.79 -44.13 90.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.565 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.68 -43.98 78.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.26 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.5 -48.18 82.88 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.449 HG12 HG21 ' A' ' 33' ' ' ILE . 90.5 mt -66.25 -43.73 91.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.353 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -61.46 -49.47 76.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.34 -42.46 98.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.402 ' CB ' HD13 ' A' ' 37' ' ' LEU . 61.9 m -64.41 -44.76 90.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.562 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.6 mt -63.72 -38.51 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.878 0.371 . . . . 0.0 110.065 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.17 -43.83 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.84 -39.86 95.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.318 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.81 -42.57 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -62.34 -41.26 98.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.703 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.6 mt -62.56 -41.45 98.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.12 -42.9 99.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.22 -38.92 92.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.487 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.62 -42.41 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.23 -40.28 85.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.801 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.43 -43.11 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.45 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 109.409 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.72 -44.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.129 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.444 ' HB3' HD11 ' A' ' 51' ' ' LEU . 81.0 mmm -65.8 -41.81 91.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.945 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.488 ' O ' HD12 ' B' ' 51' ' ' LEU . 0.4 OUTLIER -79.85 -21.47 44.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.245 0.545 . . . . 0.0 110.104 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.433 HD22 ' SD ' ' C' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.955 0.407 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -64.03 -37.96 89.35 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -40.03 92.85 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.547 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.98 -42.99 99.99 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.45 -38.57 84.57 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.558 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -65.0 -43.94 90.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.71 -44.07 78.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.35 -47.84 84.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.446 HG21 HG12 ' D' ' 33' ' ' ILE . 89.1 mt -66.83 -43.47 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -61.48 -49.9 74.92 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.599 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.3 -42.17 99.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.761 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.409 ' HB2' HD13 ' B' ' 37' ' ' LEU . 63.8 m -64.5 -45.18 88.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.9 mt -63.2 -39.02 93.44 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.102 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.83 -43.92 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.83 -39.94 95.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.682 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.61 -43.17 97.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.1 -38.92 92.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.523 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.64 -42.11 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.66 -40.26 87.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.708 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.31 -42.92 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.7 -42.56 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.507 0.67 . . . . 0.0 109.231 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.44 -44.86 97.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.34 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.433 ' SD ' HD22 ' B' ' 52' ' ' LEU . 80.5 mmm -65.46 -41.94 92.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.079 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.472 ' O ' HD12 ' C' ' 51' ' ' LEU . 0.4 OUTLIER -79.76 -21.71 44.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.436 HD22 ' SD ' ' D' ' 50' ' ' MET . 47.7 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.309 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 120.983 0.421 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.72 -38.14 90.01 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.419 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' D' ' 28' ' ' LEU . 11.5 mt -63.17 -42.99 99.5 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.44 -38.49 84.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.52 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -64.92 -44.21 90.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.43 -44.11 79.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.46 -47.88 84.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.191 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.45 HG21 HG12 ' E' ' 33' ' ' ILE . 88.7 mt -66.69 -43.42 90.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -61.39 -49.98 74.71 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.692 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.21 -42.14 99.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.413 ' HB2' HD13 ' C' ' 37' ' ' LEU . 64.0 m -64.78 -44.9 88.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.398 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 37' ' ' LEU . 26.1 mt -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.064 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.85 -43.95 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.76 -39.94 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.438 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' D' ' 43' ' ' LEU . 1.6 mm -62.8 -42.55 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.48 -41.13 98.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.46 -41.6 98.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.836 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 40' ' ' ILE . 41.8 mt -60.65 -43.1 98.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.24 -39.03 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.586 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.58 -42.25 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.66 -40.16 86.81 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.27 -42.84 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -42.58 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.35 -44.98 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.056 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.261 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.436 ' SD ' HD22 ' C' ' 52' ' ' LEU . 80.6 mmm -65.33 -41.99 93.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.023 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.458 ' O ' HD12 ' D' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -21.75 43.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 110.05 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.43 HD22 ' SD ' ' E' ' 50' ' ' MET . 47.2 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.427 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.879 0.371 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.05 -37.85 88.92 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -61.41 -40.09 93.12 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 11.4 mt -63.12 -42.95 99.62 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.42 -38.6 84.56 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.639 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -64.82 -44.08 91.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.76 -43.78 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.87 -48.19 82.96 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.228 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.45 HG12 HG21 ' D' ' 33' ' ' ILE . 89.5 mt -66.32 -43.52 91.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.243 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.57 -49.6 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.633 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.47 -42.09 98.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.409 ' CB ' HD13 ' D' ' 37' ' ' LEU . 62.0 m -64.57 -45.15 88.3 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' E' ' 37' ' ' LEU . 26.6 mt -63.4 -38.75 92.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.84 -43.88 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.68 -40.06 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.462 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.72 -42.56 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.55 -41.19 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.48 -41.55 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -43.16 99.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.16 -38.74 92.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.518 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.66 -42.4 95.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.31 -40.43 86.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.602 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.18 -42.9 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.75 -42.31 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.391 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.72 -44.68 96.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.438 ' HB3' HD11 ' D' ' 51' ' ' LEU . 81.2 mmm -65.56 -41.8 92.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.979 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . 0.49 ' O ' HD12 ' E' ' 51' ' ' LEU . 0.4 OUTLIER -80.07 -21.48 43.34 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.409 0.623 . . . . 0.0 110.168 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.428 HD22 ' SD ' ' A' ' 50' ' ' MET . 48.6 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.172 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 . . . . . 0 CA--C 1.513 -0.45 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.66 -41.53 86.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.566 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -65.39 -40.96 94.11 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.463 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.9 -43.3 93.3 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.179 -1.045 . . . . 2.16 108.179 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -60.24 -43.7 95.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 113.864 -1.516 . . . . 2.2 108.447 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.6 -45.08 94.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.001 -1.0 . . . . 2.39 111.01 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.46 -44.99 77.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.584 -0.446 . . . . 2.37 111.457 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.866 0.321 . . . . 2.43 111.866 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.12 -43.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 120.725 -0.39 . . . . 2.37 110.666 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.02 -49.55 75.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.433 -0.507 . . . . 2.29 110.546 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.71 -40.87 98.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.914 -0.315 . . . . 2.39 110.264 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' E' ' 37' ' ' LEU . 4.1 m -63.31 -42.43 99.02 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.357 -0.537 . . . . 2.33 110.198 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.8 mt -63.67 -39.09 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 2.19 110.091 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.95 -43.77 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.916 -0.772 . . . . 2.15 108.916 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.59 -40.95 93.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 2.28 109.791 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.511 HG22 HD12 ' B' ' 40' ' ' ILE . 36.4 mm -63.38 -42.27 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.975 -0.75 . . . . 2.36 108.975 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.8 m -60.99 -46.0 92.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.436 -0.802 . . . . 2.32 109.096 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.11 -42.45 99.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.471 -0.331 . . . . 2.2 110.316 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' E' ' 44' ' ' LEU . 20.0 mt -59.39 -42.87 92.71 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.743 -0.465 . . . . 2.26 109.743 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' HD13 ' B' ' 43' ' ' LEU . 6.9 mt -63.84 -38.68 92.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.612 -0.514 . . . . 2.29 109.612 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.7 mm -62.56 -43.1 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.158 -0.682 . . . . 2.28 109.158 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.48 -39.04 89.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.897 -0.592 . . . . 2.33 109.539 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.414 HD13 HD21 ' E' ' 51' ' ' LEU . 9.3 mm -64.24 -41.93 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.92 -0.582 . . . . 2.17 109.954 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.01 -42.34 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.521 0.677 . . . . 2.34 109.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 45' ' ' ILE . 56.0 t -64.68 -44.06 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.792 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.95 -41.89 99.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.136 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.4 pp -78.21 -20.6 51.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.309 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.39 -42.3 86.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.315 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -64.62 -41.33 96.27 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 15.0 mt -64.56 -43.0 95.3 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.97 -39.83 93.52 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.238 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.19 -45.72 83.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.456 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.63 -43.66 79.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.0 -48.09 83.45 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.778 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.81 -44.01 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -62.55 -48.86 77.66 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.76 -40.77 98.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.559 ' CB ' HD13 ' A' ' 37' ' ' LEU . 4.6 m -63.28 -44.58 94.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.879 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' C' ' 36' ' ' CYS . 26.8 mt -61.71 -39.3 91.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.406 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.9 -42.71 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.55 -40.54 95.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 40' ' ' ILE . 34.8 mm -63.48 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' C' ' 40' ' ' ILE . 73.0 m -61.38 -44.66 96.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.688 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.11 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.392 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 44' ' ' LEU . 19.3 mt -61.34 -42.94 99.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.666 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' C' ' 43' ' ' LEU . 6.9 mt -63.96 -38.95 92.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 49' ' ' VAL . 6.3 mm -62.38 -43.19 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.5 -38.67 88.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.584 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.425 HD13 HD21 ' A' ' 51' ' ' LEU . 9.5 mm -64.13 -43.44 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.407 HG13 HD11 ' C' ' 47' ' ' ILE . 88.5 mt -63.6 -41.72 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-O 121.519 0.676 . . . . 0.0 109.699 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.2 t -65.24 -43.68 95.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.955 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.43 -41.7 98.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.018 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.463 HD12 ' C ' ' B' ' 51' ' ' LEU . 4.5 pp -78.43 -20.93 50.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.746 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.083 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 . . . . . 0 CA--C 1.513 -0.471 0 CA-C-O 121.12 0.486 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.36 -42.3 86.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.183 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.652 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.29 -43.16 95.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.99 -39.88 93.72 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.172 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.3 -45.47 84.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.43 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.61 -43.35 80.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.088 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.25 -48.35 81.86 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.44 -44.21 90.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.24 -49.23 76.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.52 -40.84 98.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' B' ' 37' ' ' LEU . 4.1 m -63.23 -44.64 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.249 -0.581 . . . . 0.0 109.826 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' D' ' 36' ' ' CYS . 26.9 mt -61.91 -39.06 90.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.99 -42.64 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.53 -40.57 95.16 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.504 HG22 HD12 ' D' ' 40' ' ' ILE . 35.2 mm -63.58 -42.59 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' D' ' 40' ' ' ILE . 73.8 m -61.37 -44.59 96.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.68 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.9 mt -61.43 -42.87 99.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.532 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' D' ' 43' ' ' LEU . 6.9 mt -63.85 -38.83 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.63 -43.21 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.34 -38.82 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.422 HD13 HD21 ' B' ' 51' ' ' LEU . 9.3 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.406 HG13 HD11 ' D' ' 47' ' ' ILE . 85.8 mt -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 CA-C-O 121.399 0.619 . . . . 0.0 109.851 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.37 -43.57 94.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.55 -41.6 98.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.984 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.449 ' C ' HD12 ' C' ' 51' ' ' LEU . 4.4 pp -78.43 -20.71 50.49 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.523 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.197 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 . . . . . 0 CA--C 1.513 -0.462 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -58.56 -42.37 87.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.236 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -64.66 -41.2 96.25 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.43 -43.13 95.27 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.73 -39.96 93.39 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.182 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.33 -45.58 83.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.567 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.79 -43.37 79.88 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.982 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.03 -48.2 82.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.73 -44.07 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -62.28 -48.87 77.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.991 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -63.06 -40.47 97.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.836 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.568 ' CB ' HD13 ' C' ' 37' ' ' LEU . 3.9 m -63.45 -44.78 93.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.701 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' E' ' 36' ' ' CYS . 26.7 mt -61.82 -38.98 90.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.19 -42.43 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.73 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.516 HG22 HD12 ' E' ' 40' ' ' ILE . 34.7 mm -63.55 -42.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.5 m -61.52 -44.54 96.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.695 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.47 -40.46 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.7 mt -61.5 -42.91 99.52 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.425 ' HB2' HD13 ' E' ' 43' ' ' LEU . 6.8 mt -63.76 -38.96 93.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.416 ' O ' HG23 ' D' ' 49' ' ' VAL . 6.2 mm -62.28 -43.33 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.31 -38.88 88.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.574 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.417 HD13 HD21 ' C' ' 51' ' ' LEU . 9.2 mm -64.21 -43.4 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.414 HG13 HD11 ' E' ' 47' ' ' ILE . 88.0 mt -63.28 -42.07 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 CA-C-O 121.402 0.62 . . . . 0.0 109.749 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 45' ' ' ILE . 55.8 t -65.07 -43.76 95.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.831 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.54 -41.56 98.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.468 HD12 ' C ' ' D' ' 51' ' ' LEU . 4.4 pp -78.66 -20.55 49.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.417 ' N ' HD12 ' D' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.568 0 CA-C-O 117.877 -1.058 . . . . 0.0 110.191 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 . . . . . 0 CA--C 1.512 -0.498 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -58.4 -42.25 86.71 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -64.81 -41.26 95.92 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.416 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.27 -43.35 95.1 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.79 -40.01 93.7 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.144 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.2 -45.64 83.93 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.498 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.77 -43.48 79.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.693 0.283 . . . . 0.0 110.515 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.85 -44.23 89.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.28 -48.5 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.04 -40.71 98.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.8 m -63.38 -44.64 94.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.766 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.551 HD13 ' CB ' ' A' ' 36' ' ' CYS . 26.9 mt -61.78 -39.07 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.386 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.32 -42.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.42 -40.63 95.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.516 HD12 HG22 ' D' ' 40' ' ' ILE . 36.3 mm -63.65 -42.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' A' ' 40' ' ' ILE . 70.9 m -61.57 -44.56 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.703 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.25 -40.79 98.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' D' ' 44' ' ' LEU . 19.5 mt -61.24 -42.66 98.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.424 ' HB2' HD13 ' A' ' 43' ' ' LEU . 6.8 mt -64.29 -38.76 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.417 ' O ' HG23 ' E' ' 49' ' ' VAL . 6.2 mm -62.51 -43.06 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.52 -38.82 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.656 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.414 HD11 HG13 ' D' ' 48' ' ' ILE . 9.8 mm -64.05 -43.52 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.38 -41.95 94.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.434 0.635 . . . . 0.0 109.818 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . 0.417 HG23 ' O ' ' E' ' 45' ' ' ILE . 56.0 t -65.12 -43.73 95.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.57 -41.64 98.37 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.879 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . 0.452 ' C ' HD12 ' E' ' 51' ' ' LEU . 4.5 pp -78.56 -20.37 50.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.701 -1.142 . . . . 0.0 110.153 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 . . . . . 0 N--CA 1.461 0.122 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -64.05 -35.79 81.89 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.2 -38.0 89.43 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.528 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.24 -43.33 99.06 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 108.018 -1.104 . . . . 2.15 108.018 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.8 -42.35 97.42 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.156 -1.384 . . . . 2.58 107.809 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.58 -49.34 75.64 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.26 -0.576 . . . . 2.23 111.849 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.34 -44.89 93.56 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.813 -0.355 . . . . 2.23 111.289 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 21.3 t80 -57.45 -52.34 65.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.958 -0.756 . . . . 2.47 108.958 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.78 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.534 -0.466 . . . . 2.27 111.049 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.57 -53.14 61.55 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.692 -0.403 . . . . 2.36 110.046 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -57.55 -42.5 83.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.371 -0.377 . . . . 2.56 110.673 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 96.5 m -65.33 -37.04 85.88 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.203 -0.599 . . . . 1.99 110.776 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' B' ' 36' ' ' CYS . 21.8 mt -60.89 -41.34 95.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.19 -0.67 . . . . 2.14 109.19 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 38' ' ' ILE . 29.1 mm -64.13 -43.3 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.165 -0.68 . . . . 2.51 109.165 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.32 -42.16 99.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.04 -42.8 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.335 -0.617 . . . . 2.25 109.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.84 -43.81 98.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 2.32 108.791 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.01 -42.85 99.6 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.682 0.277 . . . . 2.18 110.28 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.17 -42.68 95.49 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.051 -0.722 . . . . 2.35 109.051 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.992 -0.549 . . . . 2.31 109.951 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.41 -42.62 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.338 -0.616 . . . . 2.12 109.338 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.83 -39.3 88.49 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.427 -0.583 . . . . 2.26 109.427 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -65.13 -41.57 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.953 -0.567 . . . . 2.33 109.92 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.599 HG23 ' SD ' ' B' ' 50' ' ' MET . 77.9 mt -64.01 -43.96 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 121.425 0.631 . . . . 2.35 109.32 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.01 -44.2 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.393 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.582 ' SD ' HG23 ' E' ' 48' ' ' ILE . 51.3 mtt -64.35 -39.41 93.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.814 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.23 -38.11 89.87 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.932 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -63.37 -37.73 88.39 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.35 -35.26 78.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.412 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.38 -42.87 98.86 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.54 -38.94 91.99 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.006 -1.452 . . . . 0.0 108.553 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.65 -49.98 68.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.24 -42.87 96.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.877 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 21.8 t80 -59.53 -49.58 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.594 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -64.22 -43.87 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -61.07 -47.92 84.12 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.4 -42.45 99.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.204 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 97.5 m -64.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.653 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' C' ' 36' ' ' CYS . 22.2 mt -59.83 -42.2 93.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.59 -43.15 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.2 -42.53 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.724 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.01 -43.24 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 97.0 m -62.14 -42.67 99.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.491 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.7 -41.4 99.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.085 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.72 -42.65 99.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.83 -39.68 94.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.836 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.23 -42.57 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.5 m -60.63 -39.59 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -64.84 -42.46 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.1 mt -63.35 -42.8 97.64 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 121.347 0.594 . . . . 0.0 109.661 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.39 -44.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.106 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.599 ' SD ' HG23 ' A' ' 48' ' ' ILE . 51.7 mtt -64.03 -39.67 94.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.738 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.87 -38.6 91.7 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.715 179.797 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -62.97 -37.68 88.08 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 109.946 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.55 -35.53 79.74 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.321 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 16.4 mt -63.02 -42.92 99.91 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.57 -38.79 91.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.965 -1.471 . . . . 0.0 108.611 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.73 -49.94 68.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -43.07 96.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 21.7 t80 -59.61 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.644 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.97 -43.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.98 -48.23 82.77 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.836 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.31 -42.41 99.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.088 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 96.9 m -64.6 -38.11 89.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' D' ' 36' ' ' CYS . 22.3 mt -60.0 -41.67 92.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.86 -43.11 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.27 -42.42 99.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 32.7 mm -63.08 -43.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.1 -42.49 99.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.555 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.05 -41.4 99.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.19 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.68 -42.89 99.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.7 -39.76 95.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.811 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.23 -42.72 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.5 m -60.51 -39.55 88.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.91 -42.54 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.877 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.593 HG23 ' SD ' ' D' ' 50' ' ' MET . 79.4 mt -63.35 -42.72 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-O 121.411 0.624 . . . . 0.0 109.745 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.29 -44.66 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.044 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' B' ' 48' ' ' ILE . 52.4 mtt -63.81 -39.71 94.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -38.04 89.61 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.655 179.741 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -63.08 -37.73 88.38 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.059 0.457 . . . . 0.0 110.057 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.48 -35.65 80.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.158 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -62.88 -43.04 99.86 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.43 -38.95 91.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.009 -1.45 . . . . 0.0 108.599 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.55 -50.01 69.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -42.94 96.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.782 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 21.5 t80 -59.65 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.665 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.97 -43.79 97.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.06 -48.1 83.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 95.5 m -64.57 -38.15 90.0 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' E' ' 36' ' ' CYS . 22.4 mt -59.9 -41.74 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' D' ' 38' ' ' ILE . 29.3 mm -63.94 -43.12 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.32 -42.38 99.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.681 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 32.6 mm -63.04 -43.15 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.47 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.213 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.73 -42.81 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.73 -39.67 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.854 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.25 -42.63 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -60.72 -39.39 88.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.592 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.97 -42.44 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.82 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' E' ' 50' ' ' MET . 79.5 mt -63.47 -42.87 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.19 -44.45 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.593 ' SD ' HG23 ' C' ' 48' ' ' ILE . 52.0 mtt -63.9 -39.7 94.79 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.845 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.89 -38.33 90.68 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.643 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 . . . . . 0 N--CA 1.462 0.159 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -63.48 -37.77 88.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.042 0.449 . . . . 0.0 109.996 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.45 -35.31 78.89 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.401 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 17.0 mt -63.26 -42.87 99.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.6 -38.98 92.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.48 -50.07 68.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.709 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.3 -43.01 96.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.8 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . 0.496 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 21.8 t80 -59.45 -49.48 77.64 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.6 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.217 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.98 -48.12 83.29 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.34 -42.39 99.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.501 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -64.53 -38.34 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 36' ' ' CYS . 22.0 mt -59.85 -41.97 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -63.75 -43.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.04 -43.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.17 -42.59 99.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.428 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.78 -41.57 99.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.58 -42.75 99.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.69 -39.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.693 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.01 -42.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.7 m -60.65 -39.61 88.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.87 -42.44 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.582 HG23 ' SD ' ' A' ' 50' ' ' MET . 79.2 mt -63.32 -42.88 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 109.676 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.29 -44.31 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.22 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' D' ' 48' ' ' ILE . 51.8 mtt -63.98 -39.83 95.01 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.791 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.73 -38.35 90.78 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.737 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -65.89 -43.14 89.16 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.035 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -62.08 -50.25 72.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.622 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.45 -43.21 99.27 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 109.029 -0.73 . . . . 1.9 109.029 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' A' ' 33' ' ' ILE . 53.7 tt0 -56.56 -37.94 71.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.832 -1.531 . . . . 2.38 108.924 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.12 -41.29 90.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 2.49 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.64 -48.14 70.36 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 119.689 -0.804 . . . . 2.44 111.306 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.92 -55.6 32.87 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.163 -0.615 . . . . 2.62 109.903 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 37' ' ' LEU . 88.5 mt -61.15 -44.72 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.883 -0.599 . . . . 2.34 112.331 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.75 -49.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 119.241 -0.984 . . . . 2.24 110.01 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' ILE . 12.1 m-30 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.185 -0.606 . . . . 2.59 110.608 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -66.41 -37.61 85.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.223 -0.591 . . . . 2.33 110.746 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 33' ' ' ILE . 21.9 mt -63.45 -40.09 96.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.149 -0.478 . . . . 2.02 109.871 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 22.9 mt -63.22 -43.74 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 108.477 -0.935 . . . . 2.29 108.477 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.2 -41.31 96.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 2.35 110.122 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 37' ' ' LEU . 24.7 mt -63.64 -43.56 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 109.437 -0.579 . . . . 2.31 109.437 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.71 -45.21 94.94 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.73 -0.841 . . . . 2.37 108.73 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.69 -42.23 98.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.761 -0.459 . . . . 2.22 109.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' E' ' 44' ' ' LEU . 19.2 mt -60.39 -42.34 95.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.384 -0.599 . . . . 2.28 109.384 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' B' ' 43' ' ' LEU . 13.0 mt -63.82 -41.17 97.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.35 0.595 . . . . 2.49 109.654 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 2.42 109.588 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.3 -36.91 81.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.394 -0.821 . . . . 2.37 109.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.26 -40.5 88.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.628 -0.714 . . . . 2.37 110.588 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.2 -42.21 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 108.872 -0.788 . . . . 2.44 108.872 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.83 -45.97 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.539 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -62.68 -40.75 98.06 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.911 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.96 -42.25 94.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.068 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 . . . . . 0 C--O 1.223 -0.317 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.46 -43.63 89.73 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.702 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.86 -45.5 92.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 23.0 mt -65.49 -42.89 91.69 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' B' ' 33' ' ' ILE . 54.7 tt0 -56.81 -37.96 71.91 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.556 -1.656 . . . . 0.0 108.781 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -65.89 -43.02 89.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.626 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.45 -44.82 86.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.078 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.62 -50.96 69.15 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.48 HG22 HD12 ' B' ' 37' ' ' LEU . 85.4 mt -64.63 -44.31 96.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.04 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.7 -47.33 81.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.411 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' B' ' 38' ' ' ILE . 12.6 m-30 -60.86 -42.77 98.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.119 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 99.1 m -66.46 -38.43 87.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.677 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.48 HD12 HG22 ' B' ' 33' ' ' ILE . 22.6 mt -62.46 -40.23 95.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' B' ' 35' ' ' PHE . 24.1 mt -63.15 -42.91 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.878 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.2 mt -63.61 -43.6 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.65 -43.49 98.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.85 -40.84 98.7 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.742 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 44' ' ' LEU . 18.1 mt -62.3 -42.09 99.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.473 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.2 mt -64.01 -41.7 97.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.547 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.82 -43.62 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.632 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.15 -37.18 81.92 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.721 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.52 -42.78 96.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.195 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.05 -42.26 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -44.5 98.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.026 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.7 mmm -63.91 -41.25 97.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.586 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.68 -42.4 95.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.22 -43.7 90.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.666 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.97 -45.32 92.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 22.5 mt -65.48 -43.05 91.46 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' C' ' 33' ' ' ILE . 54.5 tt0 -56.62 -37.81 71.22 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.808 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.06 -42.65 89.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.775 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.79 -44.94 84.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.051 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.65 -50.84 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.616 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.492 HG22 HD12 ' C' ' 37' ' ' LEU . 85.1 mt -64.81 -44.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.851 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.57 -46.95 83.51 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' C' ' 38' ' ' ILE . 12.5 m-30 -61.14 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.023 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -66.28 -38.52 88.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.805 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.492 HD12 HG22 ' C' ' 33' ' ' ILE . 22.2 mt -62.57 -40.12 95.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.033 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' C' ' 35' ' ' PHE . 23.4 mt -63.33 -42.76 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' C' ' 37' ' ' LEU . 24.6 mt -63.75 -43.27 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.65 -43.58 98.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.301 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.92 -40.84 98.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.0 mt -62.28 -41.99 98.96 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.2 mt -63.83 -41.76 97.76 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.672 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.95 -43.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.591 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.54 -36.99 82.16 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.646 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.7 -42.51 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.84 -42.4 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.76 -44.61 98.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.125 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.77 -41.25 98.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.519 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.78 -42.48 95.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.66 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.13 -43.96 90.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 23.6 mt -65.77 -42.93 90.26 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' D' ' 33' ' ' ILE . 54.5 tt0 -56.53 -37.89 71.1 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.86 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.94 -42.9 89.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.75 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.71 -44.8 84.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.998 -0.681 . . . . 0.0 112.047 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.79 -50.93 69.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.593 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.482 HG22 HD12 ' D' ' 37' ' ' LEU . 85.6 mt -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.938 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.82 -46.93 82.87 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.432 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.407 ' HA ' HD12 ' D' ' 38' ' ' ILE . 12.5 m-30 -61.03 -43.17 99.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 99.2 m -66.22 -38.85 88.92 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.712 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.482 HD12 HG22 ' D' ' 33' ' ' ILE . 21.6 mt -62.4 -40.08 95.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.939 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' D' ' 35' ' ' PHE . 23.6 mt -63.33 -42.85 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.75 -41.53 97.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.76 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' D' ' 37' ' ' LEU . 24.6 mt -63.52 -43.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.147 0.499 . . . . 0.0 109.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 95.2 m -62.46 -43.67 98.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.334 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.84 -40.99 99.14 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.3 mt -62.09 -42.21 98.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.2 mt -63.7 -41.75 98.06 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.726 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.86 -43.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.692 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.18 -37.3 82.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.741 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.36 -42.82 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.62 -42.62 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.617 0.722 . . . . 0.0 109.126 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.77 -44.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.098 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -63.85 -41.26 97.83 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.505 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.77 -42.38 95.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.574 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -65.06 -43.69 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.888 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.12 -45.21 93.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 23.7 mt -65.51 -42.97 91.51 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' E' ' 33' ' ' ILE . 54.8 tt0 -56.67 -37.91 71.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.94 -42.9 89.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.622 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -44.73 85.39 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.084 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.71 -50.95 69.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.535 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . 0.488 HG22 HD12 ' E' ' 37' ' ' LEU . 85.9 mt -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.93 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.75 -46.98 82.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.465 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.424 ' HA ' HD12 ' E' ' 38' ' ' ILE . 12.5 m-30 -61.0 -43.06 99.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.19 -38.73 88.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.488 HD12 HG22 ' E' ' 33' ' ' ILE . 22.6 mt -62.5 -39.92 95.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' E' ' 35' ' ' PHE . 23.8 mt -63.58 -42.75 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.94 -41.19 97.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.914 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' E' ' 37' ' ' LEU . 25.3 mt -63.85 -43.47 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 97.3 m -62.61 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.9 -40.9 98.97 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' D' ' 44' ' ' LEU . 18.2 mt -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' A' ' 43' ' ' LEU . 13.3 mt -63.98 -41.63 97.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.535 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.96 -43.57 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.21 -37.34 82.64 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.824 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.27 -42.79 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.105 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.96 -42.57 96.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.63 -44.59 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.98 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.87 -41.08 97.84 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.512 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.88 -42.07 95.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.471 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 . . . . . 0 CA--C 1.514 -0.407 0 CA-C-O 121.051 0.453 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.7 -40.37 96.63 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.742 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.32 -43.8 96.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.65 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 13.5 mt -61.24 -42.93 99.46 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.858 -0.793 . . . . 2.17 108.858 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.63 -38.98 92.34 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 113.875 -1.511 . . . . 2.61 108.168 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.63 -47.86 81.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.909 -0.587 . . . . 2.2 110.578 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.13 -45.18 89.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.489 -0.485 . . . . 2.27 111.167 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.75 -52.78 64.06 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.819 -0.753 . . . . 2.55 109.241 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.7 -0.4 . . . . 2.28 111.492 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -58.29 -52.43 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.378 -0.529 . . . . 2.38 110.259 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -59.33 -42.89 92.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.958 -0.564 . . . . 2.55 110.293 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.555 ' HB3' HD22 ' E' ' 37' ' ' LEU . 20.8 m -64.44 -38.98 92.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.275 -0.57 . . . . 2.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 36' ' ' CYS . 19.7 mt -61.83 -41.94 98.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.582 -0.525 . . . . 2.21 109.582 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -64.26 -44.32 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 115.727 -0.67 . . . . 2.54 109.342 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.01 -41.2 99.5 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.335 -0.393 . . . . 2.23 110.509 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.65 -43.12 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.871 -0.789 . . . . 2.21 108.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -62.52 -41.43 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.133 -0.94 . . . . 2.35 109.113 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.4 mt -62.44 -42.75 99.68 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.782 -0.367 . . . . 2.17 110.106 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.79 -41.74 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.726 -0.472 . . . . 2.3 109.726 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.69 -40.83 98.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.017 -0.735 . . . . 2.45 109.017 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.1 mt -64.94 -42.86 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 2.21 109.283 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.66 -34.95 78.14 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.645 -0.707 . . . . 2.27 109.799 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' E' ' 48' ' ' ILE . 12.5 mt -66.68 -40.21 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-O 121.33 0.586 . . . . 2.4 110.663 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.0 mt -66.95 -42.42 88.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.124 -0.944 . . . . 2.18 110.118 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.84 -48.18 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.263 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.43 ' HB3' HD22 ' E' ' 52' ' ' LEU . 81.1 mmm -62.81 -46.94 85.61 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.229 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.06 -39.39 79.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.691 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.761 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.71 -40.04 95.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.86 -39.25 91.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.05 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.88 -43.27 93.46 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.02 -35.27 79.66 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.966 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -65.08 -48.52 73.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.692 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.56 -43.43 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.628 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 9.3 t80 -60.1 -49.53 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.939 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -43.32 94.84 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.619 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -60.85 -49.52 77.15 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.45 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.41 99.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' A' ' 37' ' ' LEU . 20.8 m -64.16 -39.68 94.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' C' ' 36' ' ' CYS . 20.5 mt -61.19 -42.0 97.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -64.27 -43.65 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.48 -40.79 98.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.96 -43.52 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.71 -41.32 99.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.555 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' B' ' 45' ' ' ILE . 31.5 mt -62.06 -41.72 98.44 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.3 -41.65 98.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.0 -41.34 99.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.9 mt -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.38 -35.86 78.66 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.858 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' CG1' ' A' ' 48' ' ' ILE . 12.8 mt -65.42 -43.34 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.109 0.481 . . . . 0.0 109.921 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.417 ' CG1' HG13 ' C' ' 47' ' ' ILE . 75.4 mt -64.28 -43.21 97.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.147 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.22 -46.66 80.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.856 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 80.9 mmm -63.42 -47.72 80.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.713 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.07 -39.21 79.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.959 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.714 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.018 0.437 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.63 -40.05 95.91 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.76 -39.49 91.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.942 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.71 -43.15 94.36 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.17 -35.45 80.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.693 -1.594 . . . . 0.0 109.051 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.88 -48.65 73.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.51 -43.33 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.688 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . 0.403 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 9.0 t80 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.923 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.38 -43.56 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.53 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -60.84 -49.5 77.21 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.429 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -62.52 -42.42 99.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' B' ' 37' ' ' LEU . 20.0 m -64.2 -39.64 94.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' D' ' 36' ' ' CYS . 20.3 mt -60.97 -41.95 97.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.25 -41.04 99.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.93 -43.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.78 -41.23 99.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.457 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' C' ' 45' ' ' ILE . 31.6 mt -62.1 -41.97 98.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.161 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.19 -41.61 99.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.01 -41.32 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.0 mt -64.46 -43.66 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.47 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.417 HG13 ' CG1' ' B' ' 48' ' ' ILE . 12.3 mt -65.86 -43.21 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-O 121.085 0.469 . . . . 0.0 109.956 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.405 ' CG1' HG13 ' D' ' 47' ' ' ILE . 76.0 mt -64.33 -43.15 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.17 -46.51 81.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.893 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.435 ' HB3' HD13 ' B' ' 52' ' ' LEU . 80.5 mmm -63.54 -47.47 81.47 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.724 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.18 -39.39 78.74 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.961 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.61 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 109.994 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.49 -40.0 95.94 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.87 -39.54 92.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 16.1 mt -64.82 -42.97 94.54 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.41 -35.17 79.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.028 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.16 -48.66 72.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.529 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.43 -43.47 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -60.23 -49.29 78.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.895 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.44 -43.62 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -60.69 -49.39 77.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.47 -42.47 99.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.148 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' C' ' 37' ' ' LEU . 20.5 m -64.18 -39.57 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' E' ' 36' ' ' CYS . 20.3 mt -61.16 -41.98 97.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.51 -43.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.88 -43.54 98.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.541 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' D' ' 45' ' ' ILE . 31.2 mt -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.25 -41.59 99.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.1 -41.33 99.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' D' ' 42' ' ' LEU . 24.9 mt -64.53 -43.5 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -61.44 -35.33 77.26 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.405 HG13 ' CG1' ' C' ' 48' ' ' ILE . 12.2 mt -66.01 -43.24 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' E' ' 47' ' ' ILE . 77.0 mt -64.14 -43.23 97.37 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.098 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.34 -46.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.912 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.43 ' HB3' HD13 ' C' ' 52' ' ' LEU . 80.6 mmm -63.75 -47.24 81.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.682 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.25 -39.48 78.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.88 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.53 -40.08 96.09 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.88 -39.36 91.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.84 -43.32 93.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.02 -35.2 79.44 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -65.03 -48.57 73.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -43.25 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . 0.413 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 9.2 t80 -60.41 -49.39 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.866 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.36 -43.51 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.533 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -60.79 -49.4 77.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.58 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.565 ' HB3' HD22 ' D' ' 37' ' ' LEU . 20.0 m -63.93 -39.76 94.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 36' ' ' CYS . 20.6 mt -61.18 -42.16 98.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.07 -43.73 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.91 98.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.06 -43.59 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.2 m -62.62 -41.43 99.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.554 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' E' ' 45' ' ' ILE . 32.0 mt -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.244 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.38 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.2 mt -64.39 -43.68 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -61.39 -35.61 77.97 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' D' ' 48' ' ' ILE . 12.1 mt -65.5 -43.52 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.02 0.438 . . . . 0.0 110.023 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' A' ' 47' ' ' ILE . 76.7 mt -64.07 -43.09 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.38 -46.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.967 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.426 ' HB3' HD13 ' D' ' 52' ' ' LEU . 80.9 mmm -63.86 -47.24 81.52 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.35 -39.22 78.26 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.936 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.518 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.717 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' NE ' HD21 ' E' ' 27' ' ' ASN . 99.6 mtt180 . . . . . 0 CA--C 1.515 -0.379 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -34.4 77.56 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.417 HD21 ' NE ' ' B' ' 25' ' ' ARG . 82.5 m-20 -67.94 -48.4 66.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.121 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 mt -64.62 -42.58 95.41 Favored 'General case' 0 CA--C 1.484 -1.594 0 N-CA-C 108.815 -0.809 . . . . 1.95 108.815 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -56.87 -40.23 75.78 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.586 -1.643 . . . . 1.99 107.795 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -65.59 -37.54 86.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.483 -1.235 . . . . 2.82 111.109 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.72 -48.3 60.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.306 -0.558 . . . . 2.49 110.775 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.56 -42.21 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.533 -0.467 . . . . 2.38 111.602 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.51 -43.62 83.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 2.37 109.919 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.85 -46.21 90.43 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.019 -0.537 . . . . 2.19 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.2 t80 -61.8 -45.28 94.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.018 0.437 . . . . 2.39 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.73 -38.73 92.19 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.803 -0.759 . . . . 2.62 109.827 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -65.4 -36.29 83.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.75 -0.659 . . . . 2.05 109.582 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.04 -42.43 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.918 -1.142 . . . . 1.92 107.918 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.6 mt -58.02 -41.59 83.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.762 -0.829 . . . . 2.45 108.762 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.518 HD11 ' SG ' ' E' ' 41' ' ' CYS . 29.4 mm -62.13 -42.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.874 -0.787 . . . . 2.35 108.874 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' B' ' 40' ' ' ILE . 60.4 m -59.58 -50.2 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.79 -0.641 . . . . 2.22 109.666 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 45' ' ' ILE . 79.2 mt -61.4 -44.15 97.64 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.022 0.439 . . . . 2.45 111.436 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' E' ' 44' ' ' LEU . 41.7 mt -61.36 -42.4 98.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.876 -0.602 . . . . 2.37 110.071 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' LEU . 29.4 mt -62.57 -38.08 88.68 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.557 -0.457 . . . . 2.18 110.0 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.0 mt -60.09 -41.3 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.612 -0.885 . . . . 2.33 108.612 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.7 m -59.4 -38.32 80.26 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.551 -0.537 . . . . 2.28 109.551 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 HG13 ' E' ' 48' ' ' ILE . 46.5 mm -64.69 -41.85 93.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.852 -0.425 . . . . 2.29 109.852 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' B' ' 47' ' ' ILE . 97.4 mt -63.18 -43.68 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 108.447 -0.946 . . . . 2.8 108.447 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.83 -43.19 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.335 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.72 -38.24 90.32 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.49 -42.04 96.09 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.411 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.417 ' NE ' HD21 ' A' ' 27' ' ' ASN . 99.6 mtt180 . . . . . 0 CA--C 1.516 -0.364 0 CA-C-O 120.954 0.407 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -36.98 83.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.418 HD21 ' NE ' ' C' ' 25' ' ' ARG . 82.7 m-20 -66.49 -46.26 76.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.287 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.58 -43.19 90.5 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -57.44 -38.36 74.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.474 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -66.11 -42.06 89.75 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.91 -44.18 85.96 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.47 -46.07 90.16 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.42 -44.02 94.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.629 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.99 -46.56 88.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.3 t80 -60.57 -45.62 93.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.511 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.53 -40.86 98.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.645 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.6 -36.41 83.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.899 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -39.99 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 94.3 mt -60.35 -41.1 92.93 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 41' ' ' CYS . 29.5 mm -61.94 -42.93 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' C' ' 40' ' ' ILE . 60.1 m -59.79 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.018 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' B' ' 45' ' ' ILE . 81.6 mt -61.74 -43.33 99.06 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.412 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 40.4 mt -62.45 -42.52 99.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.419 ' CD1' HG23 ' C' ' 40' ' ' ILE . 28.6 mt -62.56 -37.5 86.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.068 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.6 mt -60.76 -41.29 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.62 -38.15 80.53 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 48' ' ' ILE . 46.8 mm -64.37 -42.59 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' C' ' 47' ' ' ILE . 96.8 mt -62.85 -43.06 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.39 -42.88 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 86.8 mmm -64.84 -38.46 91.05 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.812 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.41 -41.91 96.36 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.421 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . 0.418 ' NE ' HD21 ' B' ' 27' ' ' ASN . 99.6 mtt180 . . . . . 0 CA--C 1.517 -0.305 0 CA-C-O 121.006 0.431 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -37.45 85.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.502 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.42 HD21 ' NE ' ' D' ' 25' ' ' ARG . 83.0 m-20 -65.99 -46.34 78.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.345 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.62 -43.1 90.58 Favored 'General case' 0 CA--C 1.488 -1.406 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.54 -38.74 75.21 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.271 -1.786 . . . . 0.0 108.579 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.75 -41.91 91.55 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.114 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.1 85.37 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -62.3 -46.37 89.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.009 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.46 -44.13 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.64 -46.41 89.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.2 t80 -60.86 -46.03 92.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.31 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.02 -40.9 99.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.706 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.51 -36.3 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.61 -40.55 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 95.3 mt -59.74 -41.22 90.46 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.509 HD11 ' SG ' ' B' ' 41' ' ' CYS . 29.8 mm -61.89 -43.01 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' D' ' 40' ' ' ILE . 59.5 m -59.79 -49.44 77.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.054 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' C' ' 45' ' ' ILE . 81.8 mt -61.8 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.384 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 44' ' ' LEU . 41.3 mt -62.64 -42.38 99.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.075 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' C' ' 44' ' ' LEU . 29.0 mt -62.9 -37.19 85.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.144 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.5 mt -60.93 -41.52 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.49 -38.19 80.25 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' B' ' 48' ' ' ILE . 46.9 mm -64.25 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' D' ' 47' ' ' ILE . 96.5 mt -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.35 -42.91 97.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -65.02 -38.58 91.38 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.37 -42.12 96.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.493 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.52 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . 0.42 ' NE ' HD21 ' C' ' 27' ' ' ASN . 99.6 mtt180 . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -37.31 85.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.405 HD21 ' NE ' ' E' ' 25' ' ' ARG . 83.0 m-20 -66.24 -46.24 77.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.65 -43.03 90.66 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.72 -38.38 75.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.321 -1.763 . . . . 0.0 108.379 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -66.04 -42.02 90.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.186 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.11 85.35 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -62.38 -46.31 89.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.92 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.41 -43.85 94.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.09 -46.36 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.3 t80 -60.65 -45.86 92.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.384 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -63.55 -40.68 97.63 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.66 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.58 -36.15 82.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.034 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.66 -40.46 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 95.0 mt -59.92 -41.21 91.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.53 HD11 ' SG ' ' C' ' 41' ' ' CYS . 29.2 mm -61.8 -43.04 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' E' ' 40' ' ' ILE . 59.7 m -60.01 -49.35 78.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' D' ' 45' ' ' ILE . 82.3 mt -62.01 -42.95 99.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.34 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.7 -42.33 99.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.076 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' E' ' 40' ' ' ILE . 28.0 mt -62.81 -37.2 85.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.162 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' D' ' 42' ' ' LEU . 25.1 mt -60.89 -41.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.51 -38.4 80.86 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' C' ' 48' ' ' ILE . 46.6 mm -64.03 -42.65 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' E' ' 47' ' ' ILE . 95.9 mt -62.8 -42.79 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.64 -42.92 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.92 -38.44 90.96 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.22 -42.17 96.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.492 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . 0.405 ' NE ' HD21 ' D' ' 27' ' ' ASN . 99.6 mtt180 . . . . . 0 CA--C 1.517 -0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -37.32 85.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.5 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.422 HD21 ' NE ' ' A' ' 25' ' ' ARG . 82.7 m-20 -66.23 -46.05 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.376 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -42.75 89.83 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -57.63 -38.65 75.35 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.406 -1.724 . . . . 0.0 108.441 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.7 -44.24 86.76 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.18 -46.49 88.72 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.949 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.3 -44.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.566 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.672 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.2 t80 -60.74 -45.67 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.309 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.57 -40.86 98.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.668 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.62 -36.49 84.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.22 -40.13 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 95.0 mt -60.37 -41.1 93.02 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.528 HD11 ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.79 -42.95 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.518 ' SG ' HD11 ' A' ' 40' ' ' ILE . 60.0 m -60.06 -49.24 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.049 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' E' ' 45' ' ' ILE . 80.7 mt -61.8 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.159 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 44' ' ' LEU . 40.6 mt -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.976 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' E' ' 44' ' ' LEU . 27.9 mt -62.58 -37.44 86.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' E' ' 42' ' ' LEU . 24.8 mt -60.89 -41.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.64 -38.11 80.51 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . 0.425 HD11 HG13 ' D' ' 48' ' ' ILE . 46.9 mm -64.38 -42.69 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 47' ' ' ILE . 97.6 mt -62.66 -43.11 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.37 -42.89 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.277 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -64.87 -38.5 91.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.26 -41.93 96.71 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.357 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.221 -0.399 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.407 HE22 ' HB2' ' B' ' 26' ' ' GLN . 59.1 tt0 -66.17 -44.24 84.6 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.992 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.68 -47.73 82.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.79 -42.06 97.81 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 108.425 -0.954 . . . . 2.21 108.425 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.49 -41.43 80.7 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.651 -1.613 . . . . 2.05 107.854 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -43.06 99.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.304 -0.862 . . . . 2.47 110.041 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.11 -45.61 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.338 -0.545 . . . . 2.46 111.866 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -59.37 -52.98 63.3 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.099 -0.64 . . . . 2.51 109.825 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.95 -45.33 98.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.877 -0.601 . . . . 2.41 112.147 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.65 -48.07 80.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.056 -0.658 . . . . 2.27 109.97 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -60.72 -43.31 98.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.719 0.295 . . . . 2.33 110.759 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 2.6 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.224 0.535 . . . . 2.43 110.427 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' B' ' 36' ' ' CYS . 31.4 mt -64.02 -40.69 96.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.312 -0.858 . . . . 2.3 109.798 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.49 -45.54 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.777 -0.823 . . . . 2.06 108.777 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 mt -58.08 -41.84 84.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 2.23 109.846 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.8 mt -63.61 -43.54 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.423 -0.511 . . . . 2.44 109.683 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.4 m -60.32 -47.56 85.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.546 -0.909 . . . . 2.39 108.546 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -59.97 -43.35 95.14 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.782 0.325 . . . . 2.18 110.277 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' E' ' 44' ' ' LEU . 45.1 mt -59.0 -42.13 89.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.739 -0.664 . . . . 2.29 109.266 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' HD13 ' B' ' 43' ' ' LEU . 55.1 mt -65.34 -42.28 93.04 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.272 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.69 -47.67 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.27 -0.641 . . . . 2.47 109.27 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -58.17 -43.72 87.59 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.756 -0.656 . . . . 2.55 109.928 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.71 -38.23 82.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.979 -0.555 . . . . 2.2 110.629 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.534 ' O ' HD13 ' A' ' 52' ' ' LEU . 17.6 mt -62.88 -45.17 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 108.869 -0.789 . . . . 2.31 108.869 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.33 -45.55 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.721 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.808 ' SD ' HD11 ' E' ' 52' ' ' LEU . 74.1 mtm -64.37 -42.23 96.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.079 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -73.33 -28.05 61.85 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.804 HD11 ' SD ' ' B' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.53 -1.224 . . . . 0.0 109.183 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.423 HE22 ' HB2' ' C' ' 26' ' ' GLN . 59.1 tt0 -66.47 -44.48 82.59 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.313 0.383 . . . . 0.0 110.896 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.3 -45.01 93.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.03 0.443 . . . . 0.0 111.563 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.18 -41.65 89.96 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -58.66 -38.49 78.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.539 -1.664 . . . . 0.0 108.425 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.82 -44.54 89.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.94 -44.75 88.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -60.99 -49.46 77.34 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.464 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.05 -44.94 95.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.945 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.48 -46.29 86.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.611 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.23 -43.08 99.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 3.5 m -64.26 -42.87 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.19 0.519 . . . . 0.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' C' ' 36' ' ' CYS . 34.8 mt -62.65 -40.04 95.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.163 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.45 -43.32 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.41 -41.89 94.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.632 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.0 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.055 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.46 98.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.34 -41.37 98.86 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.074 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 44' ' ' LEU . 45.1 mt -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' C' ' 43' ' ' LEU . 57.0 mt -64.64 -42.31 95.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.044 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.69 -43.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.147 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.84 -43.71 98.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.476 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.42 -40.6 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.306 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.542 ' O ' HD13 ' B' ' 52' ' ' LEU . 18.4 mt -61.51 -43.76 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.447 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.53 -45.39 85.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.566 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.804 ' SD ' HD11 ' A' ' 52' ' ' LEU . 73.2 mtm -64.44 -42.28 96.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.191 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.429 HD12 ' C ' ' B' ' 51' ' ' LEU . 0.5 OUTLIER -72.92 -28.53 62.51 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.207 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' C' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.723 -1.132 . . . . 0.0 109.51 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.222 -0.349 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . 0.423 ' HB2' HE22 ' B' ' 26' ' ' GLN . 58.9 tt0 -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.022 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.34 -45.56 90.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.021 0.439 . . . . 0.0 111.545 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 12.1 mt -65.65 -41.84 92.11 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.46 -38.39 77.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.352 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.04 -44.47 88.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.539 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -44.59 88.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.2 -49.35 77.53 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.599 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.28 -44.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.86 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.43 -46.54 85.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.567 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -61.87 -43.53 98.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.15 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 3.8 m -64.08 -42.7 96.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.128 0.49 . . . . 0.0 110.153 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' D' ' 36' ' ' CYS . 34.0 mt -62.61 -40.31 96.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.109 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.16 -43.33 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.454 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.33 -41.95 94.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.728 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.99 -43.32 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.03 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.78 98.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.589 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.0 -41.58 99.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' B' ' 44' ' ' LEU . 44.3 mt -61.46 -42.62 99.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' D' ' 43' ' ' LEU . 56.8 mt -64.54 -42.38 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.39 -44.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.931 0.396 . . . . 0.0 110.141 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.74 -43.53 98.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.8 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.271 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' C' ' 52' ' ' LEU . 17.8 mt -61.51 -43.84 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.265 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.6 t -67.52 -45.2 85.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.564 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' B' ' 52' ' ' LEU . 73.0 mtm -64.58 -42.01 95.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.191 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -73.26 -28.93 62.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.112 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . 0.791 HD11 ' SD ' ' D' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.475 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 . . . . . 0 C--O 1.221 -0.406 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . 0.418 HE22 ' HB2' ' E' ' 26' ' ' GLN . 58.8 tt0 -66.26 -44.29 84.03 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.98 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.36 -45.39 91.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.439 . . . . 0.0 111.528 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.7 -41.78 91.95 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.44 -38.66 77.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.385 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.75 -44.43 90.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.618 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.26 -44.54 87.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.19 -49.29 77.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.514 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.15 -45.05 95.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.935 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.41 -46.55 85.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -61.73 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 3.9 m -64.23 -42.82 96.39 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' E' ' 36' ' ' CYS . 33.6 mt -62.44 -40.35 96.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.99 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.502 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.32 -41.78 94.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.565 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.33 -43.15 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.077 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.19 -43.57 98.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.488 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.08 -41.7 99.48 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' C' ' 44' ' ' LEU . 44.5 mt -61.51 -42.47 98.85 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' E' ' 43' ' ' LEU . 56.6 mt -64.54 -42.37 95.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.034 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.9 mm -63.53 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.82 -43.37 98.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.513 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.99 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.18 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . 0.556 ' O ' HD13 ' D' ' 52' ' ' LEU . 18.3 mt -61.6 -43.81 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.37 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.49 -45.4 85.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.566 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.791 ' SD ' HD11 ' C' ' 52' ' ' LEU . 73.3 mtm -64.27 -42.25 96.53 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.24 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.423 HD12 ' C ' ' D' ' 51' ' ' LEU . 0.5 OUTLIER -73.22 -28.76 62.35 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.211 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' E' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.273 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 C--O 1.222 -0.354 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . 0.418 ' HB2' HE22 ' D' ' 26' ' ' GLN . 59.1 tt0 -66.4 -44.3 83.39 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 123.277 0.361 . . . . 0.0 110.985 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -63.31 -45.64 90.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 111.449 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.49 -41.81 92.85 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.5 -38.59 78.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.394 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.73 -44.36 90.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.722 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.29 -44.62 87.41 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.206 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -61.02 -49.24 78.22 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.443 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.32 -44.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.987 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.45 -46.51 85.91 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.48 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -62.07 -43.27 99.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.079 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 3.6 m -64.12 -42.71 96.75 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.286 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 34.5 mt -62.66 -40.18 96.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.16 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.16 -43.72 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 61.8 mt -60.35 -41.78 94.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.573 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.11 -43.57 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 83.7 m -62.0 -43.45 98.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.34 -41.32 98.87 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.056 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 43.9 mt -61.74 -42.53 99.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.487 ' HB2' HD13 ' A' ' 43' ' ' LEU . 57.1 mt -64.43 -42.58 95.95 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.033 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.43 -44.03 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.87 -43.54 98.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.509 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.78 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.233 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . 0.559 ' O ' HD13 ' E' ' 52' ' ' LEU . 18.5 mt -61.67 -43.5 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.433 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.73 -45.21 85.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.567 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' D' ' 52' ' ' LEU . 73.4 mtm -64.45 -42.29 96.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.128 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . 0.429 ' C ' HD12 ' E' ' 51' ' ' LEU . 0.5 OUTLIER -73.0 -28.6 62.46 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.232 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.482 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HE ' ' NE2' ' E' ' 26' ' ' GLN . 60.8 mtp85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 111.699 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.534 ' NE2' ' HE ' ' B' ' 25' ' ' ARG . 8.4 pt20 -65.89 -25.34 67.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.331 0.586 . . . . 0.0 110.653 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -72.85 -37.7 67.33 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.192 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 7.2 mt -65.27 -49.24 70.33 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.191 0.52 . . . . 2.3 110.845 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.85 -37.59 87.42 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.144 -1.058 . . . . 1.89 108.144 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.03 -47.96 83.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.686 -0.806 . . . . 2.54 110.096 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.19 -42.93 83.35 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.032 -0.667 . . . . 2.52 111.287 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.82 -44.49 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 118.375 0.534 . . . . 2.39 112.069 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.59 -44.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.576 -0.45 . . . . 2.51 109.928 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.42 -44.3 97.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.15 109.44 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.567 -0.288 . . . . 2.1 111.425 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.78 -35.31 80.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 119.85 -0.74 . . . . 2.65 109.816 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 40' ' ' ILE . 33.0 mt -65.99 -39.01 89.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.91 -0.586 . . . . 2.28 109.801 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 mm -61.86 -44.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.452 -0.944 . . . . 1.9 108.452 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.2 mt -56.26 -42.16 76.95 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.379 -0.6 . . . . 2.31 109.379 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG23 HD11 ' E' ' 44' ' ' LEU . 28.7 mt -63.16 -43.04 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 108.92 -0.77 . . . . 2.39 108.92 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' B' ' 40' ' ' ILE . 61.6 m -58.87 -50.82 72.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.131 -0.692 . . . . 2.35 109.131 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 45' ' ' ILE . 72.4 mt -60.39 -43.21 96.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.968 0.413 . . . . 2.37 110.569 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.94 -41.63 92.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.658 -0.701 . . . . 2.2 109.43 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.609 ' CD1' HG23 ' B' ' 40' ' ' ILE . 31.1 mt -63.43 -39.52 94.71 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.271 -0.64 . . . . 2.21 109.271 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.3 mt -62.62 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.346 -0.983 . . . . 2.47 108.346 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.6 m -62.09 -37.32 84.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.468 -0.787 . . . . 2.39 109.982 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.3 -41.21 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.972 0.415 . . . . 2.19 109.966 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.98 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.856 -0.794 . . . . 2.38 108.856 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.55 -44.34 98.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.545 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.716 ' HB3' HD11 ' E' ' 51' ' ' LEU . 86.3 mmm -65.1 -42.15 94.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -74.6 -25.35 59.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.004 0.43 . . . . 0.0 110.069 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.817 -1.087 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.534 ' HE ' ' NE2' ' A' ' 26' ' ' GLN . 61.8 mtp85 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.557 0.218 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.542 ' NE2' ' HE ' ' C' ' 25' ' ' ARG . 8.5 pt20 -66.05 -28.49 68.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.226 0.536 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.47 -37.55 74.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.559 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.49 -49.94 69.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.213 0.53 . . . . 0.0 110.43 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.99 -33.94 76.86 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.32 -49.4 75.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.45 -40.69 89.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.43 81.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -44.6 92.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.226 0.536 . . . . 0.0 109.777 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.9 t80 -58.18 -46.43 85.78 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.45 -37.23 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.815 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' B' ' 40' ' ' ILE . 31.6 mt -64.02 -39.38 93.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.771 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 mm -62.14 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 92.2 mt -58.95 -41.72 88.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.609 HG23 ' CD1' ' A' ' 44' ' ' LEU . 29.2 mt -63.15 -42.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.182 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' C' ' 40' ' ' ILE . 61.5 m -60.14 -48.05 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.702 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' B' ' 45' ' ' ILE . 74.4 mt -62.51 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.496 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.08 -41.67 98.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG23 ' C' ' 40' ' ' ILE . 30.7 mt -63.11 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' B' ' 42' ' ' LEU . 25.8 mt -62.92 -42.85 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 95.6 m -62.77 -37.11 85.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.717 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.01 -43.08 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.01 -42.43 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.152 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.1 -43.75 97.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.796 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' LEU . 85.9 mmm -66.1 -41.68 90.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -74.95 -24.58 58.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.137 179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.603 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.414 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' ARG . . . . . 0.542 ' HE ' ' NE2' ' B' ' 26' ' ' GLN . 61.2 mtp85 . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.5 0.19 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' GLN . . . . . 0.519 ' NE2' ' HE ' ' D' ' 25' ' ' ARG . 8.1 pt20 -66.01 -27.6 68.24 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -71.06 -37.91 72.49 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.517 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' C' ' 28' ' ' LEU . 8.1 mt -64.08 -49.82 70.78 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.07 -33.94 76.9 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -62.33 -49.34 76.01 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.537 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.43 -40.65 89.62 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.902 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.66 -48.49 80.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.119 0.485 . . . . 0.0 110.7 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.92 -44.51 92.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.12 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.224 0.535 . . . . 0.0 109.805 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.9 t80 -58.51 -46.1 87.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.53 -37.33 87.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.832 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.9 mt -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.85 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.01 -41.52 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 93.6 mt -59.09 -41.78 88.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' ILE . . . . . 0.59 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.4 mt -63.05 -42.51 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' CYS . . . . . 0.541 ' SG ' HG13 ' D' ' 40' ' ' ILE . 62.3 m -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.764 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' C' ' 45' ' ' ILE . 72.4 mt -62.99 -41.61 99.62 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -41.45 98.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.428 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' LEU . . . . . 0.585 ' CD1' HG23 ' D' ' 40' ' ' ILE . 31.9 mt -63.18 -39.31 94.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.46 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.5 mt -63.06 -42.66 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.07 -36.91 85.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.768 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.23 -43.18 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.89 -42.66 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.79 -43.6 97.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' MET . . . . . 0.728 ' HB3' HD11 ' B' ' 51' ' ' LEU . 85.9 mmm -66.05 -41.95 90.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.346 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -74.63 -24.95 58.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.215 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.43 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' ARG . . . . . 0.519 ' HE ' ' NE2' ' C' ' 26' ' ' GLN . 61.0 mtp85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.576 0.227 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' GLN . . . . . 0.525 ' NE2' ' HE ' ' E' ' 25' ' ' ARG . 8.3 pt20 -65.82 -27.92 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.441 0.639 . . . . 0.0 110.72 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.88 -37.97 73.07 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' D' ' 28' ' ' LEU . 7.8 mt -63.99 -50.23 69.38 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.346 0.593 . . . . 0.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -61.79 -49.23 77.18 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.724 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.56 -40.62 89.11 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.964 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.47 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.146 0.498 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.02 -44.49 92.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.32 -43.26 99.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.396 0.617 . . . . 0.0 109.725 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.8 t80 -58.39 -46.16 86.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.2 m -64.67 -37.03 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.731 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' LEU . . . . . 0.575 ' HA ' HD12 ' D' ' 40' ' ' ILE . 34.2 mt -64.37 -39.26 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.858 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.14 -41.34 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 93.6 mt -59.03 -41.81 88.71 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' C' ' 44' ' ' LEU . 28.1 mt -63.11 -42.68 97.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' E' ' 40' ' ' ILE . 61.9 m -60.64 -47.39 86.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' D' ' 45' ' ' ILE . 72.0 mt -62.76 -41.92 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.424 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.03 -41.55 98.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.429 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' LEU . . . . . 0.595 HD11 HG23 ' E' ' 40' ' ' ILE . 31.2 mt -63.02 -39.35 94.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.45 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' D' ' 42' ' ' LEU . 26.3 mt -62.98 -42.68 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.96 -36.96 85.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.26 -43.04 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.92 -42.51 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.232 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.21 -43.91 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.755 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 50' ' ' MET . . . . . 0.721 ' HB3' HD11 ' C' ' 51' ' ' LEU . 86.7 mmm -65.6 -42.0 92.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 51' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -74.59 -25.24 59.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.048 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.426 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 25' ' ' ARG . . . . . 0.525 ' HE ' ' NE2' ' D' ' 26' ' ' GLN . 61.9 mtp85 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.498 0.19 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 26' ' ' GLN . . . . . 0.534 ' NE2' ' HE ' ' A' ' 25' ' ' ARG . 8.4 pt20 -65.8 -28.57 69.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 0.0 110.454 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -70.33 -37.67 74.74 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.39 -49.53 71.21 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.313 0.577 . . . . 0.0 110.635 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.49 -33.78 76.67 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.83 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.31 -49.12 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.534 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.71 -40.64 88.53 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.778 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.54 -48.26 81.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.19 -44.33 91.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.31 -43.13 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.329 0.585 . . . . 0.0 109.673 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 35' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.8 t80 -58.63 -46.3 87.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.62 -37.07 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 37' ' ' LEU . . . . . 0.57 ' HA ' HD12 ' E' ' 40' ' ' ILE . 33.7 mt -64.16 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.21 -41.51 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 39' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 92.6 mt -58.91 -41.62 87.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 40' ' ' ILE . . . . . 0.595 HG23 HD11 ' D' ' 44' ' ' LEU . 29.3 mt -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 41' ' ' CYS . . . . . 0.537 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.1 m -61.0 -47.4 86.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.762 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' E' ' 45' ' ' ILE . 72.4 mt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.83 -41.66 98.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 44' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 40' ' ' ILE . 31.5 mt -63.18 -39.34 94.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 45' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.5 mt -62.72 -42.85 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.81 -37.24 85.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.93 -43.01 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.0 -42.38 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.16 -43.53 97.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 50' ' ' MET . . . . . 0.694 ' HB3' HD11 ' D' ' 51' ' ' LEU . 86.7 mmm -66.04 -41.86 90.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 51' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -74.86 -24.9 58.65 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.027 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.415 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.91 6.55 10.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.816 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.84 -50.45 73.73 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.2 p -61.04 -32.02 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.131 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -36.75 85.24 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.618 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -63.9 -43.18 96.78 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 7' ' ' LEU . 6.9 mp -63.35 -40.67 97.93 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -61.01 -42.21 98.03 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.651 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.4 mtt180 -64.66 -38.85 92.39 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.693 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.34 -35.45 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 109.94 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.07 83.78 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 9' ' ' ARG . 25.1 mt -64.07 -42.36 95.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.498 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.94 -41.44 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.515 0.509 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.69 -35.75 81.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.005 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.66 -5.15 52.03 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.4 p -96.33 -33.4 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.714 0.292 . . . . 0.0 111.399 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 18' ' ' ILE . 8.7 t -66.81 -40.49 88.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 HG22 ' CE2' ' A' ' 32' ' ' PHE . 47.9 pt -63.37 -16.07 17.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -127.08 24.81 6.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.624 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.494 ' CE ' HD11 ' A' ' 28' ' ' LEU . 6.0 ptp -55.51 152.78 16.45 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.571 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -51.51 -40.09 63.78 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 122.36 2.04 . . . . 0.0 112.109 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.95 152.12 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.825 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -73.34 5.11 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.708 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.92 -9.52 21.85 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.8 mtm180 -52.5 -39.63 61.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.64 -32.81 71.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.792 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -66.47 -47.05 74.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.249 0.547 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD11 ' CE ' ' A' ' 20' ' ' MET . 18.4 mt -66.04 -44.19 85.35 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 108.56 -0.904 . . . . 2.25 108.56 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -55.48 -42.2 74.03 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-N 113.564 -1.653 . . . . 1.9 107.57 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -63.59 -41.2 98.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.35 -1.296 . . . . 2.57 111.116 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -66.62 -46.27 76.37 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.466 -0.494 . . . . 2.39 112.177 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CE2' HG22 ' A' ' 18' ' ' ILE . 21.6 m-85 -59.1 -40.08 84.22 Favored 'General case' 0 CA--C 1.514 -0.434 0 C-N-CA 120.332 -0.547 . . . . 2.41 110.82 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.86 -43.97 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-N 115.762 -0.654 . . . . 2.39 109.686 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.04 -44.32 96.96 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 116.155 -0.475 . . . . 2.16 110.084 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.99 -43.64 98.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.66 0.267 . . . . 2.22 111.094 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 75.3 m -64.04 -38.76 92.23 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.169 -0.612 . . . . 2.6 109.569 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 40' ' ' ILE . 57.4 mt -67.42 -38.92 85.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 2.29 109.635 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.36 -45.75 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.076 -1.083 . . . . 1.97 108.076 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.3 mt -56.9 -41.07 77.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 2.32 109.215 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' CD1' ' E' ' 44' ' ' LEU . 32.1 mt -63.7 -42.62 96.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.973 -0.751 . . . . 2.34 108.973 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' HG13 ' B' ' 40' ' ' ILE . 74.2 m -58.32 -47.58 83.25 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.84 -0.8 . . . . 2.32 108.84 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 mt -61.21 -43.31 99.08 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 110.027 -0.36 . . . . 2.31 110.027 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' E' ' 44' ' ' LEU . 18.9 mt -59.1 -42.03 89.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.059 -0.518 . . . . 2.23 109.726 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.549 ' CD1' HG23 ' B' ' 40' ' ' ILE . 55.6 mt -64.63 -39.31 93.47 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.222 -0.659 . . . . 2.27 109.222 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -62.96 -44.53 99.69 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 N-CA-C 108.374 -0.972 . . . . 2.48 108.374 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -63.16 -35.03 78.94 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 115.12 -0.945 . . . . 2.41 110.459 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -67.86 -40.17 83.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.031 0.443 . . . . 2.2 110.763 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -66.72 -42.07 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-N 115.381 -0.827 . . . . 2.4 109.558 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.28 -47.93 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.647 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.41 -46.4 88.77 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.518 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.37 -37.95 74.67 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.879 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.448 -0.56 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.543 -179.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -79.91 6.79 10.25 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.804 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.71 -47.12 87.7 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.739 0.781 . . . . 0.0 109.31 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.11 -31.9 55.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -36.78 85.26 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.791 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -63.79 -43.07 97.44 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.47 -40.55 97.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 29.1 m -61.21 -41.72 97.33 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.4 mtt180 -65.09 -39.03 92.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.468 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.3 -35.64 76.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.91 85.05 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.687 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.6 mt -64.26 -42.55 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.404 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.46 -42.17 86.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.558 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.36 -35.7 81.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.171 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 -5.45 52.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 55.0 p -96.08 -33.38 12.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.771 0.32 . . . . 0.0 111.301 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.401 HG23 ' N ' ' B' ' 18' ' ' ILE . 8.8 t -66.72 -40.31 88.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.254 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' B' ' 32' ' ' PHE . 47.4 pt -63.54 -15.94 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.586 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -127.07 24.92 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.731 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.493 ' CE ' HD11 ' B' ' 28' ' ' LEU . 6.0 ptp -55.53 152.76 16.67 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.62 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -51.44 -40.3 62.83 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 122.415 2.076 . . . . 0.0 112.075 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.87 152.22 40.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -73.27 4.74 4.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.701 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.47 -7.55 14.79 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -54.31 -39.44 67.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.29 -33.14 71.93 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -66.49 -46.0 77.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.434 0.635 . . . . 0.0 110.438 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' B' ' 20' ' ' MET . 19.1 mt -66.99 -44.11 81.25 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.38 -39.35 72.81 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.135 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -65.41 -43.64 89.96 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.515 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.48 -44.26 91.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.463 ' CE2' HG22 ' B' ' 18' ' ' ILE . 22.5 m-85 -60.46 -43.61 96.72 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.64 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 95.3 mt -64.78 -44.03 96.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.244 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -62.46 -43.84 97.86 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.261 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.85 -43.82 98.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.672 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 79.8 m -64.16 -40.76 96.82 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.441 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' B' ' 40' ' ' ILE . 59.1 mt -65.5 -38.63 90.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.8 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.24 -42.18 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.32 91.08 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.549 HG23 ' CD1' ' A' ' 44' ' ' LEU . 31.4 mt -63.79 -42.53 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' C' ' 40' ' ' ILE . 73.0 m -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.71 -41.59 99.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.909 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -61.49 -42.13 98.32 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.536 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' C' ' 40' ' ' ILE . 52.3 mt -64.33 -39.02 93.07 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.14 -44.06 99.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -63.66 -35.02 79.17 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.178 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.09 -43.17 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.976 0.417 . . . . 0.0 110.052 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 70.6 mt -63.77 -42.71 96.83 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.739 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -68.39 -45.82 81.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.46 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 40.5 mmm -63.6 -47.04 83.07 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.014 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.29 -38.09 74.93 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.025 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.571 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.476 -179.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -79.86 6.86 9.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.69 -47.15 87.57 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 121.685 0.755 . . . . 0.0 109.347 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.87 -32.6 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.22 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -37.07 86.25 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.696 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.79 -43.0 97.62 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.401 ' N ' HD12 ' C' ' 7' ' ' LEU . 7.0 mp -63.41 -40.76 98.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.603 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -60.96 -41.79 97.03 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.4 mtt180 -65.18 -39.12 92.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.434 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.294 0.569 . . . . 0.0 110.088 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.72 -41.04 84.15 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.703 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.8 mt -64.13 -42.29 95.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-N 114.559 -1.201 . . . . 0.0 109.485 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.97 -41.85 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.548 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.63 -35.62 81.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.041 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.26 -5.22 52.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 55.3 p -96.24 -33.54 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.349 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.413 HG23 ' N ' ' C' ' 18' ' ' ILE . 8.9 t -66.77 -40.27 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.248 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.472 HG22 ' CE2' ' C' ' 32' ' ' PHE . 46.9 pt -63.48 -16.07 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.563 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -127.05 24.79 6.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.692 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.493 ' CE ' HD11 ' C' ' 28' ' ' LEU . 6.0 ptp -55.49 152.74 16.48 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.555 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -51.55 -40.11 64.11 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.414 2.076 . . . . 0.0 112.112 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -63.87 152.22 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.968 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.39 5.16 3.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 -7.64 16.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -54.11 -39.26 66.24 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -60.66 -33.05 72.25 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.735 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -66.63 -46.2 76.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.364 0.602 . . . . 0.0 110.263 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.493 HD11 ' CE ' ' C' ' 20' ' ' MET . 18.8 mt -66.55 -44.44 82.37 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.22 -39.62 72.79 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-N 113.696 -1.593 . . . . 0.0 108.074 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.0 -43.73 91.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.52 -44.21 91.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.472 ' CE2' HG22 ' C' ' 18' ' ' ILE . 22.6 m-85 -60.51 -43.55 96.97 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.573 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.99 -44.1 96.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.166 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -62.3 -43.98 97.58 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -61.68 -43.89 98.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.532 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 77.2 m -63.91 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.545 ' HA ' HD12 ' C' ' 40' ' ' ILE . 59.0 mt -65.74 -38.6 89.57 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.871 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -63.44 -42.24 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.24 -40.41 90.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' B' ' 44' ' ' LEU . 32.1 mt -63.88 -42.56 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.495 ' SG ' HG13 ' D' ' 40' ' ' ILE . 73.5 m -59.57 -45.17 92.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.51 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.82 -41.47 99.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.965 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' B' ' 44' ' ' LEU . 17.8 mt -61.71 -42.11 98.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.634 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.551 ' CD1' HG23 ' D' ' 40' ' ' ILE . 54.5 mt -64.21 -39.22 93.52 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.241 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.23 -43.87 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -63.66 -35.09 79.39 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.377 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.07 -43.06 89.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.029 0.442 . . . . 0.0 110.237 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.72 -42.88 97.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.65 0.738 . . . . 0.0 109.707 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.8 t -68.13 -45.88 82.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 114.417 -1.265 . . . . 0.0 111.495 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.9 mmm -63.84 -46.7 83.83 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.039 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.63 -38.01 73.84 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.036 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.576 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.493 -179.764 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.63 6.61 10.2 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.57 -47.01 88.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.671 0.748 . . . . 0.0 109.419 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -64.02 -32.36 56.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -36.75 85.32 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.669 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.92 -43.05 97.08 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.43 -40.73 97.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 28.9 m -61.04 -41.89 97.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.4 mtt180 -65.01 -39.09 92.91 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.4 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.13 -35.66 75.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.513 . . . . 0.0 109.985 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -40.84 84.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.716 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' D' ' 9' ' ' ARG . 25.2 mt -64.23 -42.43 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.567 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.68 -42.16 87.85 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.56 -35.49 80.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.086 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.41 -5.22 52.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.69 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 55.2 p -96.35 -33.24 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.407 . . . . 0.0 111.38 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 8.7 t -67.07 -40.2 86.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.228 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' D' ' 32' ' ' PHE . 46.8 pt -63.55 -16.02 17.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -126.9 24.78 6.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.486 ' CE ' HD11 ' D' ' 28' ' ' LEU . 6.0 ptp -55.42 152.77 15.93 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.615 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -51.5 -40.01 63.84 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.409 2.073 . . . . 0.0 112.083 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.18 152.27 41.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.818 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -73.35 4.91 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.84 15.56 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -54.15 -39.31 66.41 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -60.41 -33.2 72.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -66.51 -45.94 77.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.293 0.568 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.486 HD11 ' CE ' ' D' ' 20' ' ' MET . 19.4 mt -66.8 -44.31 81.57 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -56.22 -39.65 72.83 Favored 'General case' 0 CA--C 1.502 -0.876 0 CA-C-N 113.549 -1.659 . . . . 0.0 108.096 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.09 -43.76 91.03 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.473 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -64.41 -44.38 91.43 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' D' ' 18' ' ' ILE . 22.4 m-85 -60.26 -43.6 96.0 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.996 -0.681 . . . . 0.0 109.685 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.95 -44.05 96.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.293 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.44 -43.84 97.84 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.204 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -61.99 -43.45 98.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.702 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 77.3 m -64.06 -40.68 96.79 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.541 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.527 ' HA ' HD12 ' D' ' 40' ' ' ILE . 59.3 mt -65.85 -38.94 90.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.817 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -62.94 -42.31 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.33 -40.35 90.35 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.551 HG23 ' CD1' ' C' ' 44' ' ' LEU . 33.2 mt -63.7 -42.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.509 ' SG ' HG13 ' E' ' 40' ' ' ILE . 72.9 m -59.64 -45.23 92.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.537 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.07 -41.52 99.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.923 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' C' ' 44' ' ' LEU . 17.9 mt -61.31 -42.39 98.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.602 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.556 ' CD1' HG23 ' E' ' 40' ' ' ILE . 54.3 mt -63.93 -39.32 93.89 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.256 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.11 -43.9 99.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.9 m -63.75 -34.95 79.04 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mt -67.27 -43.14 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.63 -42.83 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.667 0 CA-C-O 121.541 0.686 . . . . 0.0 109.661 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 50.0 t -68.25 -45.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 114.539 -1.209 . . . . 0.0 111.565 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 40.9 mmm -63.8 -46.89 83.13 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.45 -38.08 74.43 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.002 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.219 -0.546 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.579 -179.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.7 6.55 10.47 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.42 -47.42 86.17 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.799 0.809 . . . . 0.0 109.47 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 p -63.78 -32.23 56.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.787 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -36.97 86.08 Favored 'General case' 0 N--CA 1.437 -1.098 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.711 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.72 -43.05 97.69 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.4 -40.74 98.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.555 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.655 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.5 mtt180 -64.82 -39.07 92.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.42 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.22 -35.67 75.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 109.95 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.7 -40.96 84.28 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' E' ' 9' ' ' ARG . 25.5 mt -64.09 -42.34 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.601 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -58.85 -42.01 88.31 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.572 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.59 -35.34 80.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.125 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.68 -5.06 52.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.681 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 55.5 p -96.43 -33.31 11.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 111.26 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -66.82 -40.23 87.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.267 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.457 HG22 ' CE2' ' E' ' 32' ' ' PHE . 47.5 pt -63.64 -16.18 17.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.445 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -126.92 24.93 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.953 0.783 . . . . 0.0 110.644 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.497 ' CE ' HD11 ' E' ' 28' ' ' LEU . 6.0 ptp -55.52 152.71 16.81 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.527 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -51.56 -39.97 64.44 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.273 1.982 . . . . 0.0 112.105 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -63.96 151.99 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -73.19 4.88 3.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.693 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -7.69 14.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 74.1 mtm180 -54.18 -39.52 66.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.3 -33.23 72.06 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.797 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -66.39 -46.11 77.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.578 . . . . 0.0 110.497 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.497 HD11 ' CE ' ' E' ' 20' ' ' MET . 19.4 mt -66.72 -44.26 82.06 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -56.28 -39.38 72.58 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.116 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -65.34 -43.65 90.24 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.549 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.56 -44.17 91.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.457 ' CE2' HG22 ' E' ' 18' ' ' ILE . 22.4 m-85 -60.51 -43.37 97.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.656 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.22 -43.93 95.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.227 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.42 -43.96 97.57 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.185 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -61.82 -43.59 98.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.754 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 82.4 m -64.2 -40.77 96.78 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.406 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.5 mt -65.72 -38.87 90.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.755 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.79 -42.31 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.31 -40.55 90.91 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.556 HG23 ' CD1' ' D' ' 44' ' ' LEU . 32.7 mt -63.85 -42.31 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' A' ' 40' ' ' ILE . 73.0 m -59.61 -45.41 92.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.514 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.71 -41.51 99.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.072 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 17.6 mt -61.61 -42.12 98.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.534 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.53 ' CD1' HG23 ' A' ' 40' ' ' ILE . 54.9 mt -64.22 -39.17 93.42 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.13 -44.18 99.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 93.6 m -63.41 -35.11 79.33 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.368 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.4 mt -67.28 -43.02 88.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.888 0.375 . . . . 0.0 110.164 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.63 -42.91 97.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.635 0 CA-C-O 121.699 0.761 . . . . 0.0 109.739 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 48.4 t -68.23 -46.0 81.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.519 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 41.3 mmm -63.68 -46.83 83.74 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.898 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.19 -38.34 75.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.977 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.218 -0.596 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.56 -179.679 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -70.18 -30.93 68.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.645 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 99.1 mttt -63.22 -53.45 52.98 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.379 0.609 . . . . 0.0 110.479 -179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.87 -27.79 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.601 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -36.39 84.17 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.378 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 19.7 m-85 -64.33 -42.28 96.37 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -62.59 -41.22 98.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -61.65 -42.43 98.89 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.2 mtt180 -63.4 -40.05 96.18 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.29 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -60.48 -35.97 77.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.801 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.48 87.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.4 mt -63.43 -42.09 95.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 114.655 -1.157 . . . . 0.0 109.408 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -59.16 -41.61 88.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.594 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.1 -35.2 77.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.83 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.21 -4.63 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.87 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.1 p -91.56 -32.48 15.51 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.665 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -42.4 87.21 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.522 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.462 HG22 ' CE2' ' A' ' 32' ' ' PHE . 50.9 pt -61.98 -17.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.752 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -127.95 24.67 6.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.602 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 7.6 ptt? -56.68 151.4 31.28 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.782 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -50.6 -35.34 46.33 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.729 2.286 . . . . 0.0 112.824 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.58 147.41 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.027 0.441 . . . . 0.0 111.204 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -73.96 -1.62 20.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.92 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.602 ' HB3' ' CE ' ' A' ' 20' ' ' MET . . . -70.25 -0.9 8.84 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.41 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -53.75 -37.21 63.15 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -61.85 -32.38 72.71 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.252 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.464 HD22 ' HB1' ' A' ' 24' ' ' ALA . 45.7 m-20 -67.8 -45.37 74.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.253 0.549 . . . . 0.0 109.612 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 17.0 mt -66.0 -44.54 84.5 Favored 'General case' 0 CA--C 1.5 -0.971 0 N-CA-C 108.706 -0.85 . . . . 2.24 108.706 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -56.28 -41.41 75.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 113.572 -1.649 . . . . 1.91 107.649 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -63.77 -40.61 97.12 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.188 -1.369 . . . . 2.57 111.245 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -67.38 -46.8 72.21 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 120.353 -0.539 . . . . 2.41 111.665 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CE2' HG22 ' A' ' 18' ' ' ILE . 24.6 m-85 -58.92 -41.27 86.92 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.472 -0.491 . . . . 2.42 110.725 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.12 -43.41 85.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.888 -0.596 . . . . 2.4 109.836 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.91 -44.65 96.35 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 120.497 -0.481 . . . . 2.16 110.352 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 -42.95 99.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.025 -0.27 . . . . 2.21 110.953 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.7 m -63.6 -38.95 93.05 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 120.208 -0.597 . . . . 2.61 109.605 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 40.9 mt -68.2 -38.86 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.537 -0.756 . . . . 2.3 109.435 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.03 -45.97 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 108.347 -0.983 . . . . 1.98 108.347 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.4 -41.16 75.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.794 -0.639 . . . . 2.29 109.39 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.531 HG23 ' CD1' ' E' ' 44' ' ' LEU . 27.9 mt -62.54 -42.85 97.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.305 -0.628 . . . . 2.31 109.305 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.0 m -57.64 -46.5 84.09 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.694 -0.854 . . . . 2.31 108.694 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.98 -44.19 97.72 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 109.817 -0.438 . . . . 2.32 109.817 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD13 ' HB2' ' E' ' 44' ' ' LEU . 55.1 mt -59.56 -42.48 92.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.665 -0.494 . . . . 2.25 109.665 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' B' ' 40' ' ' ILE . 42.2 mt -63.75 -40.31 96.41 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.241 -0.651 . . . . 2.3 109.241 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.76 -43.71 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 108.383 -0.969 . . . . 2.48 108.383 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.87 -35.31 79.59 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 115.296 -0.866 . . . . 2.4 110.04 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.81 -38.7 82.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.055 0.455 . . . . 2.21 110.718 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.0 mt -67.57 -41.78 86.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-O 121.895 0.855 . . . . 2.38 109.359 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.42 -47.27 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.979 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.574 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.7 mmm -62.55 -47.13 85.21 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.559 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.63 -38.65 80.68 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.652 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.387 -179.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.99 -30.93 67.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.43 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 99.1 mttt -63.88 -50.79 67.39 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.401 0.62 . . . . 0.0 111.179 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.14 -27.48 42.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.419 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -36.14 82.85 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 19.8 m-85 -64.66 -42.32 95.49 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.422 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.7 mp -62.4 -40.82 97.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.434 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 19.8 m -62.08 -42.43 99.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.2 mtt180 -63.3 -40.33 97.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.331 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.57 -35.68 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.6 87.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.649 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.5 mt -63.24 -42.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.254 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -59.05 -42.11 89.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.604 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.71 -35.08 77.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.916 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.1 -4.66 56.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.8 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.2 p -91.76 -32.18 15.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.655 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.413 HG22 ' H ' ' B' ' 17' ' ' THR . 0.0 OUTLIER -66.83 -42.39 85.88 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.321 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.474 HG22 ' CE2' ' B' ' 32' ' ' PHE . 50.9 pt -61.96 -16.76 16.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.858 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -128.33 24.32 5.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.583 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 7.6 ptt? -56.49 151.29 30.09 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.769 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -50.44 -35.55 45.54 Favored 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.813 2.342 . . . . 0.0 112.939 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -58.44 147.11 32.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.237 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -73.67 -1.89 20.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.062 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.583 ' HB3' ' CE ' ' B' ' 20' ' ' MET . . . -70.95 1.48 5.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.383 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -55.98 -37.17 68.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.6 -34.41 74.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.147 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.445 HD22 ' HB1' ' B' ' 24' ' ' ALA . 40.5 m-20 -66.78 -44.4 81.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.436 0.636 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.435 HD11 ' SD ' ' B' ' 20' ' ' MET . 18.0 mt -65.75 -45.14 83.69 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.34 -38.7 74.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.396 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.22 -43.78 90.38 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.46 -1.245 . . . . 0.0 110.513 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.58 -44.81 89.49 Favored 'General case' 0 CA--C 1.51 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.395 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.474 ' CE2' HG22 ' B' ' 18' ' ' ILE . 25.5 m-85 -60.45 -44.18 96.11 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.75 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.73 -43.42 93.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.357 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.34 -44.55 96.23 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.23 -42.73 99.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.57 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 86.9 m -63.64 -41.56 98.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' B' ' 40' ' ' ILE . 41.7 mt -65.68 -38.51 89.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.999 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.49 -41.87 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.27 -40.18 89.49 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 44' ' ' LEU . 27.9 mt -63.01 -42.71 97.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.49 ' SG ' HG13 ' C' ' 40' ' ' ILE . 64.3 m -58.91 -43.49 91.05 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.03 -42.1 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.988 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.21 -42.32 99.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.698 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' C' ' 40' ' ' ILE . 44.7 mt -63.48 -40.64 97.65 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.48 -44.05 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.14 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -65.95 -42.6 92.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-O 120.961 0.41 . . . . 0.0 110.122 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.9 -42.85 97.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.65 0.738 . . . . 0.0 109.498 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -67.42 -46.27 83.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.297 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 42.0 mmm -62.95 -47.71 82.02 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.016 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.55 -39.27 81.13 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.114 0.483 . . . . 0.0 109.727 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.595 -179.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.68 -31.11 67.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.695 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.415 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 99.0 mttt -63.71 -50.9 67.34 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.505 0.669 . . . . 0.0 110.915 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -65.25 -27.51 42.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.512 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 0.0 OUTLIER -65.58 -36.09 82.73 Favored 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 19.6 m-85 -64.73 -42.5 95.16 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.418 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.8 mp -62.04 -41.34 98.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.473 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.62 -42.5 98.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.1 mtt180 -63.2 -40.05 96.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.359 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.82 -35.27 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.922 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.39 84.96 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.812 0.815 . . . . 0.0 108.81 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.6 mt -63.42 -42.08 94.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.16 -41.83 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.553 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.08 -35.14 77.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.841 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.87 -4.36 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.788 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -91.85 -32.63 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.569 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -42.37 88.17 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.527 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.461 HG22 ' CE2' ' C' ' 32' ' ' PHE . 50.9 pt -62.21 -16.64 16.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.802 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -128.21 24.63 5.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.6 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 7.2 ptt? -56.93 151.32 33.95 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -50.35 -35.74 45.37 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 122.798 2.332 . . . . 0.0 112.821 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -58.3 147.15 31.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.55 -2.44 22.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.079 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.6 ' HB3' ' CE ' ' C' ' 20' ' ' MET . . . -70.4 1.69 4.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.369 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -56.54 -36.91 69.78 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.83 -34.46 74.6 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.994 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.421 HD22 ' HB1' ' C' ' 24' ' ' ALA . 41.5 m-20 -66.71 -44.42 81.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.211 0.529 . . . . 0.0 110.356 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.456 HD11 ' SD ' ' C' ' 20' ' ' MET . 17.6 mt -65.85 -44.98 83.87 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.22 -38.61 74.02 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.404 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.26 -44.02 89.44 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.557 -1.201 . . . . 0.0 110.51 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.58 -44.58 90.24 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.411 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.461 ' CE2' HG22 ' C' ' 18' ' ' ILE . 25.5 m-85 -60.19 -44.48 95.07 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.761 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.71 -43.54 93.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.215 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -62.27 -44.48 96.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.409 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -62.32 -42.64 99.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.532 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 83.1 m -63.75 -41.41 98.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.226 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' C' ' 40' ' ' ILE . 43.4 mt -65.62 -39.04 91.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.899 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.81 -42.35 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.79 -40.56 88.7 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.5 mt -62.63 -43.01 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.502 ' SG ' HG13 ' D' ' 40' ' ' ILE . 64.2 m -58.69 -43.51 90.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.01 -42.25 99.77 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.88 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -62.07 -42.38 99.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' D' ' 40' ' ' ILE . 43.6 mt -63.37 -40.83 98.33 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.25 -43.71 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.94 -35.5 80.34 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.77 -42.53 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-O 121.003 0.43 . . . . 0.0 110.185 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.0 -42.61 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.646 0.736 . . . . 0.0 109.534 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.74 -46.08 83.25 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.363 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 42.8 mmm -63.36 -47.42 82.2 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.79 -38.71 80.16 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.139 0.495 . . . . 0.0 109.746 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.215 -0.748 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.552 -179.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.65 -30.9 67.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 99.1 mttt -63.81 -50.97 66.84 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.424 0.63 . . . . 0.0 110.922 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.2 -27.45 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.482 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -36.14 82.97 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 109.19 -0.671 . . . . 0.0 109.19 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 19.9 m-85 -64.45 -42.48 95.93 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.423 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.7 mp -62.35 -41.26 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.403 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -61.73 -42.28 98.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.655 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.2 mtt180 -63.48 -40.12 96.25 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.222 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -60.57 -35.62 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.898 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.16 -41.31 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.771 0.796 . . . . 0.0 108.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.6 mt -63.56 -42.11 95.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.246 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -58.94 -42.27 89.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.8 -35.05 77.05 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.909 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.94 -4.63 56.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.915 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 25.4 p -91.87 -32.38 15.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.579 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.439 HG22 ' H ' ' D' ' 17' ' ' THR . 0.0 OUTLIER -66.59 -42.25 87.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.536 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.467 HG22 ' CE2' ' D' ' 32' ' ' PHE . 50.0 pt -62.2 -16.5 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.75 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -128.43 24.35 5.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.583 ' CE ' ' HB3' ' D' ' 24' ' ' ALA . 7.6 ptt? -56.47 151.15 30.62 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -50.37 -35.73 45.5 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.705 2.27 . . . . 0.0 112.865 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -58.17 147.62 29.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.005 0.431 . . . . 0.0 111.195 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.96 -2.41 23.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.053 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.583 ' HB3' ' CE ' ' D' ' 20' ' ' MET . . . -70.62 2.18 4.38 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.467 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -56.84 -36.99 70.63 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.71 -34.47 74.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.084 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.439 HD22 ' HB1' ' D' ' 24' ' ' ALA . 42.0 m-20 -66.74 -44.4 81.62 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-O 121.147 0.499 . . . . 0.0 110.36 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.433 HD11 ' SD ' ' D' ' 20' ' ' MET . 17.5 mt -65.91 -44.8 84.14 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -57.48 -38.44 74.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.633 -1.622 . . . . 0.0 108.431 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -65.52 -43.93 88.48 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.389 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.32 -44.66 90.86 Favored 'General case' 0 CA--C 1.511 -0.539 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' D' ' 18' ' ' ILE . 25.4 m-85 -60.13 -44.71 94.7 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.668 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.35 -43.4 94.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.472 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.402 HD22 ' HA ' ' D' ' 34' ' ' ASN . 7.3 m120 -62.55 -44.33 96.6 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.279 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -62.41 -42.7 99.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.88 -41.31 97.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' D' ' 40' ' ' ILE . 43.3 mt -65.75 -38.82 90.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.81 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.96 -42.36 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 36.2 mt -59.81 -40.5 88.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.552 HG23 ' CD1' ' C' ' 44' ' ' LEU . 29.0 mt -62.69 -42.91 97.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.505 ' SG ' HG13 ' E' ' 40' ' ' ILE . 64.7 m -58.87 -43.53 90.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.9 -42.22 99.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.006 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -62.02 -42.34 99.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.718 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' E' ' 40' ' ' ILE . 43.9 mt -63.51 -40.87 98.19 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.16 -43.82 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.7 m -63.03 -35.33 79.89 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mt -65.64 -42.6 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 121.072 0.463 . . . . 0.0 110.234 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -63.89 -42.82 97.06 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.7 0 CA-C-O 121.568 0.699 . . . . 0.0 109.506 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.69 -46.02 83.54 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.352 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.48 -47.31 82.32 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.003 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.96 -38.53 79.46 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.439 -179.644 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -70.57 -31.0 67.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.607 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 99.1 mttt -63.8 -50.81 67.49 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.334 0.588 . . . . 0.0 111.031 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -65.21 -27.34 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.67 -36.25 83.11 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 19.8 m-85 -64.47 -42.43 95.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -62.47 -40.75 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.562 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 19.9 m -62.12 -42.16 98.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.2 mtt180 -63.54 -40.29 96.63 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.176 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -60.4 -35.72 76.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.817 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.31 87.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.705 0.764 . . . . 0.0 108.998 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.3 mt -63.7 -42.09 94.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.245 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -59.09 -42.15 89.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.555 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.66 -35.01 76.71 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.25 -4.66 55.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.74 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 25.9 p -91.62 -32.51 15.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.587 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.6 87.17 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.361 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' E' ' 32' ' ' PHE . 51.0 pt -61.74 -17.1 16.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -127.69 24.04 6.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.59 ' CE ' ' HB3' ' E' ' 24' ' ' ALA . 7.4 ptt? -56.16 151.07 28.03 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -50.28 -35.6 44.27 Favored 'Trans proline' 0 N--CA 1.498 1.751 0 C-N-CA 122.655 2.237 . . . . 0.0 112.812 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -58.18 147.51 30.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.001 0.429 . . . . 0.0 111.179 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.99 -2.14 22.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.163 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.59 ' HB3' ' CE ' ' E' ' 20' ' ' MET . . . -70.89 1.68 5.25 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.402 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -56.14 -37.29 69.28 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -60.49 -34.58 74.27 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.113 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.433 HD22 ' HB1' ' E' ' 24' ' ' ALA . 42.4 m-20 -66.64 -44.39 82.07 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 121.336 0.589 . . . . 0.0 110.362 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.449 HD11 ' SD ' ' E' ' 20' ' ' MET . 17.9 mt -65.75 -45.28 83.19 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -56.79 -38.99 73.3 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 113.49 -1.686 . . . . 0.0 108.401 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.01 -44.02 90.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.488 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.46 -44.78 90.02 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' E' ' 18' ' ' ILE . 25.5 m-85 -60.12 -44.45 94.88 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.753 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.0 mt -65.69 -43.57 93.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.1 -44.58 96.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.43 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.31 -42.72 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.531 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.77 -41.69 97.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 42.7 mt -65.48 -38.59 90.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.046 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.27 -41.94 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 34.9 mt -60.14 -40.4 89.68 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.1 mt -62.96 -42.57 97.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.332 -0.547 . . . . 0.0 109.639 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.501 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.9 m -58.88 -43.61 90.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.04 -42.07 99.67 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' D' ' 44' ' ' LEU . 53.4 mt -62.18 -42.3 99.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.528 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.531 ' CD1' HG23 ' A' ' 40' ' ' ILE . 44.7 mt -63.38 -40.63 97.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.588 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mm -63.64 -43.88 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 86.5 m -62.78 -35.32 79.47 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.016 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.74 -42.62 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.194 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.93 -42.63 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-O 121.504 0.668 . . . . 0.0 109.674 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.03 83.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.471 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 43.2 mmm -63.33 -47.43 82.23 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.894 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.84 -39.21 80.08 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.217 -0.65 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.678 -179.7 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mtp . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -71.56 -32.53 68.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.23 -53.01 50.8 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.538 0.685 . . . . 0.0 110.102 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.93 -25.13 36.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.586 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -65.75 -37.34 86.08 Favored 'General case' 0 N--CA 1.436 -1.155 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.409 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 18.3 m-85 -65.02 -43.96 90.71 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.504 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.5 mp -62.69 -41.46 99.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.24 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.3 m -61.05 -43.07 99.44 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.632 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.3 mtt180 -63.13 -40.56 97.95 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.804 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -59.36 -36.95 76.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.3 mt -63.87 -42.56 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.83 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -58.2 -42.24 85.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.716 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -64.91 -36.25 83.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.519 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.28 -2.2 58.47 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.1 t -91.58 -33.04 15.29 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.704 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -42.21 82.73 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' A' ' 32' ' ' PHE . 45.3 pt -60.44 -17.59 14.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.115 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.2 21.22 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.456 0.472 . . . . 0.0 110.475 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.57 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 13.0 ptt? -49.8 147.15 6.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.792 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -51.43 -30.76 35.94 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.983 2.456 . . . . 0.0 112.825 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.71 148.24 20.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.642 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -73.64 0.94 11.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB3' ' CE ' ' A' ' 20' ' ' MET . . . -79.48 8.71 5.82 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.624 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -52.93 -40.73 63.84 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -64.13 -34.19 77.5 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.745 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -65.45 -43.07 91.52 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.524 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD11 ' SD ' ' A' ' 20' ' ' MET . 22.7 mt -66.4 -44.25 83.53 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.667 -0.864 . . . . 2.22 108.667 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -56.08 -41.23 74.82 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 113.697 -1.592 . . . . 1.91 107.964 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.437 HD21 HD21 ' A' ' 34' ' ' ASN . 10.8 t-20 -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.249 -1.341 . . . . 2.55 111.033 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.26 -45.63 76.09 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 120.208 -0.597 . . . . 2.44 112.137 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' A' ' 18' ' ' ILE . 26.3 m-85 -60.05 -42.57 94.75 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.361 -0.536 . . . . 2.44 111.162 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.59 -43.18 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.067 -0.515 . . . . 2.43 109.977 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.437 HD21 HD21 ' A' ' 30' ' ' ASN . 94.6 m-20 -62.29 -45.17 94.44 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.209 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.36 -42.25 99.26 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.665 -0.243 . . . . 2.18 110.681 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.8 m -62.99 -39.57 95.16 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.262 -0.575 . . . . 2.58 109.746 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 ' HA ' HD12 ' A' ' 40' ' ' ILE . 34.9 mt -68.01 -38.26 82.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.694 . . . . 2.33 109.805 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.9 mt -62.2 -46.75 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.668 -0.864 . . . . 1.97 108.668 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.74 -40.54 75.94 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.835 -0.802 . . . . 2.31 108.835 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 37' ' ' LEU . 30.0 mt -62.4 -42.38 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.855 -0.794 . . . . 2.29 108.855 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.432 ' SG ' HG13 ' B' ' 40' ' ' ILE . 62.3 m -58.75 -46.63 86.99 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.769 -0.826 . . . . 2.31 108.769 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.0 mt -61.39 -43.33 99.05 Favored 'General case' 0 C--N 1.339 0.145 0 N-CA-C 110.115 -0.328 . . . . 2.36 110.115 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.1 -42.18 94.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.263 -0.426 . . . . 2.23 109.999 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' B' ' 40' ' ' ILE . 40.8 mt -63.38 -38.96 93.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.249 -0.648 . . . . 2.27 109.249 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.23 -43.23 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.688 -0.856 . . . . 2.44 108.688 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.2 m -63.29 -35.2 79.59 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.234 -0.894 . . . . 2.38 110.036 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 44' ' ' LEU . 12.9 mt -66.8 -40.86 86.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.237 0.541 . . . . 2.22 110.837 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.8 mt -67.51 -42.49 87.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 114.949 -1.023 . . . . 2.4 110.324 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.16 -48.93 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 CA-C-N 114.645 -1.161 . . . . 0.0 111.754 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.466 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.0 mmm -62.36 -47.08 85.77 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.388 -179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 47' ' ' ILE . 8.9 mt -68.35 -38.8 81.81 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.1 mp . . . . . 0 N--CA 1.444 -0.728 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.55 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.4 mtp . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -71.62 -32.91 68.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.36 -49.96 67.38 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.59 0.709 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -64.92 -24.85 36.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.454 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 0.2 OUTLIER -65.88 -37.4 86.04 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.413 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 18.0 m-85 -64.95 -44.06 90.64 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.426 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.446 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.4 mp -62.68 -41.31 99.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 81.9 m -61.57 -42.02 98.24 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.611 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.2 mtt180 -64.02 -40.51 96.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.591 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.4 ' HA ' HH11 ' B' ' 13' ' ' ARG . 15.5 m -59.55 -37.11 77.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.257 0.551 . . . . 0.0 109.761 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.51 91.56 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.4 mt -64.23 -42.23 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.751 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.4 HH11 ' HA ' ' B' ' 10' ' ' SER . 83.7 mtt85 -58.39 -42.66 87.62 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.612 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -64.62 -35.78 82.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.279 0.562 . . . . 0.0 109.821 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.25 -2.27 58.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.203 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.9 t -91.7 -32.88 15.27 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.686 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -42.18 82.82 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.052 -0.659 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.428 HG22 ' CE2' ' B' ' 32' ' ' PHE . 45.1 pt -60.72 -17.5 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.148 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.16 21.07 5.77 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.561 0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.581 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 13.3 ptt? -49.92 147.2 6.96 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -51.17 -30.72 33.46 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.938 2.425 . . . . 0.0 113.008 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.87 148.57 20.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.952 0.406 . . . . 0.0 110.638 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -73.96 0.69 12.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.044 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.581 ' HB3' ' CE ' ' B' ' 20' ' ' MET . . . -79.05 8.33 5.89 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -52.42 -41.04 62.88 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -62.95 -38.28 90.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.346 -1.297 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.03 -41.34 99.5 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.638 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.467 HD11 ' SD ' ' B' ' 20' ' ' MET . 24.7 mt -67.36 -44.29 79.38 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -57.2 -38.75 74.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.486 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.443 HD21 HD21 ' B' ' 34' ' ' ASN . 9.8 t-20 -64.7 -45.18 87.71 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.525 -1.216 . . . . 0.0 110.352 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 mp -65.19 -43.85 90.3 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.428 ' CE2' HG22 ' B' ' 18' ' ' ILE . 26.5 m-85 -60.96 -45.73 93.56 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.819 -0.752 . . . . 0.0 110.003 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.29 -43.52 95.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.443 HD21 HD21 ' B' ' 30' ' ' ASN . 94.5 m-20 -62.16 -45.19 94.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.068 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.369 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 90.8 m -62.1 -42.45 99.23 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.606 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' B' ' 40' ' ' ILE . 34.3 mt -65.57 -38.2 88.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.137 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 mt -62.93 -43.47 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.9 mt -59.28 -40.23 85.43 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 37' ' ' LEU . 29.4 mt -62.54 -42.42 95.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' C' ' 40' ' ' ILE . 62.6 m -59.42 -43.82 93.0 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.59 -42.02 98.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 44' ' ' LEU . 50.7 mt -61.92 -41.8 98.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.945 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' C' ' 40' ' ' ILE . 39.6 mt -63.91 -39.31 93.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.05 -43.35 98.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.96 -35.62 80.76 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 44' ' ' LEU . 13.0 mt -65.69 -44.12 93.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.02 0.438 . . . . 0.0 110.088 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' C' ' 47' ' ' ILE . 77.6 mt -64.24 -43.15 97.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.25 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.87 -46.62 78.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.496 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' A' ' 52' ' ' LEU . 82.4 mmm -64.09 -47.55 79.61 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.973 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.415 HD12 HG23 ' B' ' 47' ' ' ILE . 9.3 mt -68.32 -39.4 81.98 Favored 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.039 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.691 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.646 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.2 mtp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -71.73 -32.6 67.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.7 -49.96 66.62 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.592 0.71 . . . . 0.0 110.476 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.89 -24.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 CA-C-N 114.88 -1.054 . . . . 0.0 110.457 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 0.2 OUTLIER -65.95 -37.23 85.47 Favored 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.416 ' N ' ' HG2' ' C' ' 5' ' ' GLN . 18.2 m-85 -65.17 -43.78 90.63 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.447 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.4 mp -62.79 -41.14 99.14 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 76.4 m -61.68 -42.18 98.57 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.625 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.3 mtt180 -63.76 -40.84 97.68 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.506 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . 0.402 ' HA ' HH11 ' C' ' 13' ' ' ARG . 15.6 m -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.161 0.505 . . . . 0.0 109.764 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.5 mt -64.47 -42.15 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.771 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.402 HH11 ' HA ' ' C' ' 10' ' ' SER . 83.8 mtt85 -58.33 -42.61 87.2 Favored 'General case' 0 CA--C 1.519 -0.232 0 O-C-N 123.359 0.412 . . . . 0.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 86.6 mmt-85 -64.88 -36.11 83.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.191 0.52 . . . . 0.0 109.748 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.89 -2.31 58.53 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.266 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -91.39 -33.31 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.757 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.412 HG22 ' H ' ' C' ' 17' ' ' THR . 0.0 OUTLIER -67.4 -41.68 84.53 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.997 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.424 HG22 ' CE2' ' C' ' 32' ' ' PHE . 45.2 pt -61.29 -17.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.056 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.4 21.13 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.564 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 13.0 ptt? -49.87 147.26 6.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -51.17 -30.84 33.89 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.033 2.489 . . . . 0.0 112.895 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -56.95 148.61 20.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.901 0.382 . . . . 0.0 110.514 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.92 0.57 13.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.004 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.564 ' HB3' ' CE ' ' C' ' 20' ' ' MET . . . -79.05 8.29 5.96 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.761 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -52.23 -41.3 62.64 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.9 -37.87 88.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.23 -41.48 99.11 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.555 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.469 HD11 ' SD ' ' C' ' 20' ' ' MET . 24.3 mt -67.39 -44.12 79.67 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.14 -38.89 74.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 113.624 -1.626 . . . . 0.0 108.471 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . 0.444 HD21 HD21 ' C' ' 34' ' ' ASN . 10.0 t-20 -64.74 -44.96 88.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.445 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.22 -43.48 91.35 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' C' ' 18' ' ' ILE . 26.4 m-85 -61.24 -45.56 94.02 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.884 -0.726 . . . . 0.0 109.91 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 92.1 mt -65.44 -43.51 94.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.444 HD21 HD21 ' C' ' 30' ' ' ASN . 94.1 m-20 -62.34 -45.31 93.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.07 -42.77 99.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 92.0 m -62.27 -42.17 99.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.552 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' C' ' 40' ' ' ILE . 32.9 mt -65.7 -38.16 88.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.04 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.04 -43.21 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.48 -40.22 86.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' C' ' 37' ' ' LEU . 29.5 mt -62.46 -42.63 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.0 m -59.24 -43.96 92.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.45 -42.19 98.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.093 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 mt -61.98 -41.76 98.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.941 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.58 ' CD1' HG23 ' D' ' 40' ' ' ILE . 39.6 mt -63.64 -39.32 94.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.0 -43.38 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -62.94 -35.76 81.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.168 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' C' ' 44' ' ' LEU . 12.0 mt -65.59 -44.12 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.262 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.24 -43.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.351 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 44.1 t -68.82 -46.7 78.95 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 114.823 -1.08 . . . . 0.0 112.405 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.484 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.5 mmm -63.83 -47.37 81.07 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.121 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.43 HD12 HG23 ' C' ' 47' ' ' ILE . 9.3 mt -68.53 -39.02 81.34 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.014 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.71 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.434 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -71.56 -32.7 68.4 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.66 -49.96 66.7 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.464 0.65 . . . . 0.0 110.552 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.96 -24.75 36.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.414 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 0.2 OUTLIER -65.92 -37.25 85.56 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 18.0 m-85 -65.2 -43.86 90.22 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.421 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.435 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.4 mp -62.53 -41.59 98.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 83.5 m -61.32 -42.01 97.96 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.614 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.2 mtt180 -64.07 -40.58 96.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.63 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . 0.409 ' HA ' HH11 ' D' ' 13' ' ' ARG . 15.6 m -59.52 -36.97 77.12 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.228 0.537 . . . . 0.0 109.836 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.33 91.62 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.6 mt -64.5 -42.16 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.782 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.409 HH11 ' HA ' ' D' ' 10' ' ' SER . 83.8 mtt85 -58.3 -42.54 86.9 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.64 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -64.88 -36.3 83.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.729 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.87 -2.31 58.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.248 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 35.0 t -91.53 -33.04 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -41.8 82.96 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.066 -0.654 . . . . 0.0 110.803 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.422 HG22 ' CE2' ' D' ' 32' ' ' PHE . 45.1 pt -61.08 -17.26 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.156 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.39 21.21 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.523 0.514 . . . . 0.0 110.574 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.576 ' CE ' ' HB3' ' D' ' 24' ' ' ALA . 13.1 ptt? -49.89 147.19 6.9 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -51.28 -30.86 35.0 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 123.014 2.476 . . . . 0.0 112.856 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -56.82 148.32 21.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 0.0 110.479 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.77 0.86 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.96 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.576 ' HB3' ' CE ' ' D' ' 20' ' ' MET . . . -79.35 8.23 6.51 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.829 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -52.12 -41.24 62.32 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -62.8 -38.05 89.15 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.212 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.07 -41.56 99.46 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.628 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.473 HD11 ' SD ' ' D' ' 20' ' ' MET . 24.3 mt -67.34 -44.18 79.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.18 -38.6 73.85 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 113.602 -1.635 . . . . 0.0 108.673 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . 0.44 HD21 HD21 ' D' ' 34' ' ' ASN . 9.9 t-20 -64.83 -45.05 87.77 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.544 -1.207 . . . . 0.0 110.49 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.25 -43.6 90.82 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.422 ' CE2' HG22 ' D' ' 18' ' ' ILE . 26.5 m-85 -61.21 -45.6 93.91 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.831 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.44 -43.44 94.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.478 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.44 HD21 HD21 ' D' ' 30' ' ' ASN . 94.0 m-20 -62.26 -45.6 92.56 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.76 -42.83 99.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.484 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 93.4 m -62.22 -42.22 99.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.212 -0.595 . . . . 0.0 109.609 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.1 mt -65.78 -37.93 87.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -63.35 -43.09 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.51 -40.08 85.94 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' D' ' 37' ' ' LEU . 29.2 mt -62.77 -42.41 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.461 ' SG ' HG13 ' E' ' 40' ' ' ILE . 62.1 m -59.49 -43.56 93.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.735 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.63 -41.95 98.21 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.164 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 50.5 mt -62.16 -41.79 98.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.956 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.578 ' CD1' HG23 ' E' ' 40' ' ' ILE . 40.8 mt -63.78 -39.34 94.03 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mm -62.99 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.13 -35.63 80.92 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.025 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' D' ' 44' ' ' LEU . 12.1 mt -65.6 -44.21 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.058 0.456 . . . . 0.0 110.189 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.404 ' CG1' HG13 ' E' ' 47' ' ' ILE . 76.4 mt -64.23 -43.22 97.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.313 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 44.4 t -68.71 -46.58 79.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.609 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.477 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.8 mmm -64.07 -47.56 79.65 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.269 -0.573 . . . . 0.0 110.967 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.418 HD12 HG23 ' D' ' 47' ' ' ILE . 9.3 mt -68.36 -38.8 81.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.128 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.445 -0.72 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.423 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -71.37 -33.02 69.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.12 -50.13 67.25 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 121.585 0.707 . . . . 0.0 110.694 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.94 -24.66 36.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 0.2 OUTLIER -66.07 -37.25 85.32 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.413 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 18.0 m-85 -65.19 -44.01 89.82 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.442 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.4 mp -62.54 -41.35 98.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 83.7 m -61.51 -41.96 98.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.2 mtt180 -64.08 -40.57 96.53 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.618 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . 0.402 ' HA ' HH11 ' E' ' 13' ' ' ARG . 15.5 m -59.61 -36.72 76.88 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 121.256 0.55 . . . . 0.0 109.826 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.26 90.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.852 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.8 mt -64.52 -42.14 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.734 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.402 HH11 ' HA ' ' E' ' 10' ' ' SER . 83.8 mtt85 -58.31 -42.44 86.74 Favored 'General case' 0 CA--C 1.519 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.609 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -64.96 -35.99 82.94 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.25 -2.31 58.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.219 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -91.49 -33.25 15.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.755 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.42 HG22 ' H ' ' E' ' 17' ' ' THR . 0.0 OUTLIER -67.52 -41.83 83.77 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.876 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.417 HG22 ' CE2' ' E' ' 32' ' ' PHE . 45.3 pt -60.95 -17.47 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.193 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.16 21.21 5.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.573 ' CE ' ' HB3' ' E' ' 24' ' ' ALA . 13.1 ptt? -49.92 147.3 6.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -51.28 -30.86 34.95 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 123.043 2.495 . . . . 0.0 112.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -56.89 148.44 20.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.024 0.44 . . . . 0.0 110.622 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.76 0.73 12.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.573 ' HB3' ' CE ' ' E' ' 20' ' ' MET . . . -79.33 8.36 6.23 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -52.3 -41.02 62.56 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -63.01 -38.25 90.42 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.343 -1.298 . . . . 0.0 111.31 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -62.94 -41.26 99.44 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.561 -0.455 . . . . 0.0 110.556 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.472 HD11 ' SD ' ' E' ' 20' ' ' MET . 24.5 mt -67.53 -44.46 78.33 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.12 -38.7 73.81 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.582 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . 0.451 HD21 HD21 ' E' ' 34' ' ' ASN . 10.0 t-20 -64.61 -45.39 87.14 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.451 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -64.93 -43.76 91.7 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' E' ' 18' ' ' ILE . 26.5 m-85 -60.96 -45.64 93.93 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.024 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.46 -43.39 94.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.451 HD21 HD21 ' E' ' 30' ' ' ASN . 93.9 m-20 -62.31 -45.43 93.25 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.055 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.03 -42.86 99.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 92.4 m -62.14 -42.19 99.01 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.626 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.61 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.9 mt -65.68 -38.15 88.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.147 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.5 mt -62.95 -43.41 99.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 75.5 mt -59.32 -40.38 86.1 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' E' ' 37' ' ' LEU . 28.6 mt -62.46 -42.52 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.452 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.3 m -59.35 -43.85 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.41 -42.04 98.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.107 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.09 -41.72 98.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.928 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.573 ' CD1' HG23 ' A' ' 40' ' ' ILE . 39.7 mt -63.84 -39.41 94.15 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.91 -43.36 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 90.8 m -62.83 -35.87 81.37 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.085 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' E' ' 44' ' ' LEU . 12.4 mt -65.61 -44.18 93.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.914 0.388 . . . . 0.0 110.125 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.1 -43.23 97.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.333 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.9 -46.65 78.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.464 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.464 ' HB3' HD13 ' D' ' 52' ' ' LEU . 82.6 mmm -64.01 -47.5 80.03 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.076 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.424 HD12 HG23 ' E' ' 47' ' ' ILE . 9.4 mt -68.33 -39.26 82.0 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.109 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.2 mp . . . . . 0 N--CA 1.444 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.671 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.78 -42.81 9.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.179 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -67.18 -45.29 77.4 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.601 0.715 . . . . 0.0 109.588 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.531 ' O ' HG23 ' A' ' 8' ' ' THR . 11.2 p -61.67 -27.0 41.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.432 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.08 -36.58 84.07 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.899 -0.72 . . . . 0.0 109.14 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -69.41 -46.85 65.86 Favored 'General case' 0 N--CA 1.441 -0.905 0 C-N-CA 119.61 -0.836 . . . . 0.0 109.312 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -58.41 -42.41 87.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.847 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 4' ' ' VAL . 71.2 p -61.05 -48.73 80.38 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 106.888 -1.523 . . . . 0.0 106.888 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -57.38 -36.37 71.16 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.816 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 t -64.37 -32.69 74.41 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -66.0 -39.14 90.04 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.809 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -60.71 -43.75 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' O ' HD13 ' A' ' 28' ' ' LEU . 83.9 mmt-85 -63.34 -45.23 92.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.189 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 -55.11 -51.19 67.2 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.37 68.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.828 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 t -146.41 -16.39 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.965 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.59 ' OG1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -105.3 -13.04 15.8 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -77.98 -17.34 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.339 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.16 -10.36 42.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.273 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.405 ' N ' HH21 ' A' ' 25' ' ' ARG . 53.3 mtm -125.98 126.7 24.82 Favored Pre-proline 0 C--O 1.223 -0.316 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.121 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -59.37 94.5 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.855 1.704 . . . . 0.0 111.22 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.6 154.75 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.43 -9.89 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.56 67.44 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.408 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.601 ' CZ ' HD21 ' E' ' 27' ' ' ASN . 99.3 mtt180 -59.04 -34.7 72.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.97 -38.74 92.17 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.055 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.601 HD21 ' CZ ' ' B' ' 25' ' ' ARG . 76.8 m-20 -64.16 -43.44 95.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.229 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' OG1' ' A' ' 17' ' ' THR . 7.5 mt -61.49 -44.1 97.68 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 108.962 -0.755 . . . . 1.94 108.962 -179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' A' ' 33' ' ' ILE . 49.5 tt0 -61.19 -40.04 92.44 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.809 -1.542 . . . . 2.5 108.284 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -63.77 -44.46 93.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.045 -0.98 . . . . 2.32 110.471 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.36 -47.0 77.96 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.885 -0.726 . . . . 2.3 111.708 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 6.1 t80 -59.87 -52.44 65.42 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 119.39 -0.924 . . . . 2.6 109.978 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' HG2' ' A' ' 29' ' ' GLN . 88.0 mt -62.61 -45.83 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.504 -0.479 . . . . 2.3 111.529 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -58.97 -52.23 66.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 120.094 -0.642 . . . . 2.3 109.904 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -56.8 -43.25 80.75 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.392 -0.367 . . . . 2.59 110.904 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HB3' HD22 ' E' ' 37' ' ' LEU . 98.9 m -67.01 -37.41 84.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.57 -0.452 . . . . 2.08 111.179 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' B' ' 36' ' ' CYS . 25.5 mt -60.76 -42.43 97.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.952 -0.758 . . . . 2.1 108.952 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.83 -43.96 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 N-CA-C 109.247 -0.649 . . . . 2.45 109.247 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.01 -42.53 99.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.833 -0.347 . . . . 2.36 110.818 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.32 -42.55 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 108.887 -0.783 . . . . 2.28 108.887 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.0 m -61.33 -43.79 98.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.97 -0.752 . . . . 2.23 108.97 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 45' ' ' ILE . 62.6 mt -61.98 -41.92 98.56 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.73 -0.214 . . . . 2.18 110.493 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.41 -43.24 96.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.963 -0.754 . . . . 2.45 108.963 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 73.1 mt -65.17 -40.06 93.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.811 -0.631 . . . . 2.36 110.151 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 42' ' ' LEU . 24.6 mt -61.92 -43.59 97.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.202 -0.666 . . . . 2.22 109.202 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.4 m -60.26 -39.3 86.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.351 -0.611 . . . . 2.27 109.351 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.39 -42.09 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.799 -0.637 . . . . 2.26 109.821 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.78 -44.26 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 N-CA-C 108.77 -0.826 . . . . 2.55 108.77 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.1 t -60.01 -44.81 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.237 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.539 ' SD ' HD13 ' E' ' 52' ' ' LEU . 73.6 mtm -63.98 -41.6 97.47 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.427 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.85 -41.86 95.35 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.826 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD13 ' SD ' ' B' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.694 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.44 -42.99 9.98 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.36 -44.76 78.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.8 0.81 . . . . 0.0 109.836 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.542 ' O ' HG23 ' B' ' 8' ' ' THR . 11.2 p -62.28 -26.54 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.394 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.31 -36.72 84.62 Favored 'General case' 0 N--CA 1.434 -1.239 0 C-N-CA 119.926 -0.71 . . . . 0.0 109.206 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.04 -42.1 73.36 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.914 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.8 mp -62.43 -42.42 99.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.528 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.542 HG23 ' O ' ' B' ' 4' ' ' VAL . 74.4 p -63.28 -41.51 99.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.26 -36.66 84.4 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.029 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -64.19 -32.91 74.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.222 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.9 83.87 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.189 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.21 -43.9 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.746 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.487 ' O ' HD13 ' B' ' 28' ' ' LEU . 82.9 mmt-85 -65.42 -39.64 92.38 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -59.65 -46.84 87.83 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.86 69.79 0.2 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.901 -0.719 . . . . 0.0 112.761 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 4.5 t -147.5 -16.65 0.38 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.39 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.583 ' OG1' HD11 ' B' ' 28' ' ' LEU . 0.6 OUTLIER -104.98 -13.12 15.88 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.572 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 39.8 pt -78.01 -17.18 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.599 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -91.22 -10.92 39.88 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.42 ' N ' HH21 ' B' ' 25' ' ' ARG . 53.2 mtm -125.44 126.56 25.05 Favored Pre-proline 0 C--O 1.223 -0.327 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -59.35 94.68 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 121.777 1.651 . . . . 0.0 111.395 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -141.72 154.88 45.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.144 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.54 -10.23 59.45 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -25.45 67.29 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.275 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.601 ' CZ ' HD21 ' A' ' 27' ' ' ASN . 99.4 mtt180 -58.98 -34.68 72.11 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.877 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.11 -41.28 99.33 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.569 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.593 HD21 ' CZ ' ' C' ' 25' ' ' ARG . 73.3 m-20 -63.23 -40.18 96.74 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.189 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.583 HD11 ' OG1' ' B' ' 17' ' ' THR . 8.6 mt -63.54 -44.24 94.78 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' B' ' 33' ' ' ILE . 49.7 tt0 -61.79 -38.33 87.68 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.836 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -64.88 -45.6 85.31 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 114.648 -1.16 . . . . 0.0 109.986 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.09 -45.01 86.99 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.408 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.427 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 6.5 t80 -62.37 -49.92 73.64 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.364 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' B' ' 29' ' ' GLN . 86.0 mt -64.63 -44.14 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.841 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -61.87 -47.85 83.18 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.499 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.21 -42.93 99.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.227 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.542 ' HB3' HD22 ' A' ' 37' ' ' LEU . 99.3 m -66.37 -38.18 86.99 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.341 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' C' ' 36' ' ' CYS . 25.9 mt -60.16 -42.27 94.56 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' B' ' 38' ' ' ILE . 28.7 mm -64.1 -43.5 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.005 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.323 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.06 -42.54 99.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.729 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.47 -42.85 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.78 -42.85 99.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.355 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.532 ' HA ' HD12 ' B' ' 45' ' ' ILE . 64.4 mt -62.51 -41.21 98.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.338 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.4 -43.24 99.21 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.41 -39.63 92.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.017 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 42' ' ' LEU . 23.8 mt -62.25 -42.86 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.07 -38.98 88.15 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.625 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.72 -41.8 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.568 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.469 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.24 -44.61 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.901 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.533 ' SD ' HD13 ' A' ' 52' ' ' LEU . 73.6 mtm -64.33 -41.36 96.82 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.367 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -65.01 -41.76 95.05 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.668 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.534 HD13 ' SD ' ' C' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.759 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.86 -43.22 10.17 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.216 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.09 -44.97 78.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.688 0.756 . . . . 0.0 109.85 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.542 ' O ' HG23 ' C' ' 8' ' ' THR . 11.3 p -62.3 -26.39 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.352 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.45 -36.57 84.2 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.33 -42.03 72.45 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.893 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.441 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.8 mp -62.5 -42.24 99.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.542 HG23 ' O ' ' C' ' 4' ' ' VAL . 72.8 p -63.36 -41.52 98.84 Favored 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.38 -36.71 84.63 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 115.428 -0.806 . . . . 0.0 108.941 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -64.07 -32.87 74.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.29 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.86 83.78 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.031 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mm -62.16 -43.76 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.835 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.476 ' O ' HD13 ' C' ' 28' ' ' LEU . 84.1 mmt-85 -65.75 -38.84 90.19 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.448 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -60.33 -47.13 87.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.7 70.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -147.83 -16.8 0.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.442 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.578 ' OG1' HD11 ' C' ' 28' ' ' LEU . 0.6 OUTLIER -104.95 -13.17 15.87 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.3 pt -77.88 -17.14 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.493 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.48 -10.42 40.92 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.221 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.414 ' N ' HH21 ' C' ' 25' ' ' ARG . 53.6 mtm -125.86 126.54 24.87 Favored Pre-proline 0 C--O 1.224 -0.261 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.215 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.24 94.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.789 1.659 . . . . 0.0 111.403 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -141.68 154.6 45.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.209 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.37 -10.27 59.49 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.3 67.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.272 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.593 ' CZ ' HD21 ' B' ' 27' ' ' ASN . 99.4 mtt180 -59.21 -34.36 72.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.867 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -63.38 -41.41 98.78 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.604 HD21 ' CZ ' ' D' ' 25' ' ' ARG . 73.0 m-20 -63.13 -40.09 96.58 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.318 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.578 HD11 ' OG1' ' C' ' 17' ' ' THR . 8.8 mt -63.59 -44.24 94.58 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' C' ' 33' ' ' ILE . 49.7 tt0 -61.78 -38.42 87.97 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 113.535 -1.666 . . . . 0.0 108.836 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -64.72 -45.73 85.28 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.028 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 -44.9 88.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.266 -0.573 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.421 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 6.5 t80 -62.63 -49.76 73.91 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' C' ' 29' ' ' GLN . 86.2 mt -64.69 -44.15 96.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.708 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -61.81 -47.98 82.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.437 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.07 -42.94 99.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.247 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.549 ' HB3' HD22 ' B' ' 37' ' ' LEU . 99.1 m -66.38 -38.44 87.55 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' D' ' 36' ' ' CYS . 25.4 mt -59.97 -42.16 93.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.18 -43.45 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.17 -42.49 99.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.747 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.5 -42.85 97.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 90.2 m -61.77 -42.86 99.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.368 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.529 ' HA ' HD12 ' C' ' 45' ' ' ILE . 63.6 mt -62.5 -41.16 98.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.398 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.42 -43.42 98.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.25 -39.59 92.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.122 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.3 mt -62.4 -42.73 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 98.2 m -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.25 -42.93 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.664 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.69 -41.83 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.407 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.34 -44.63 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.045 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.534 ' SD ' HD13 ' B' ' 52' ' ' LEU . 73.5 mtm -64.13 -41.68 97.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.73 -41.96 95.57 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.293 0.568 . . . . 0.0 109.612 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.531 HD13 ' SD ' ' D' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.907 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 N--CA 1.493 1.702 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.2 -42.71 10.28 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.232 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.46 -45.0 77.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.611 0.72 . . . . 0.0 109.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.54 ' O ' HG23 ' D' ' 8' ' ' THR . 11.5 p -62.16 -26.25 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.286 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.64 -36.59 84.34 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -70.07 -42.15 73.19 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.964 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.444 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.8 mp -62.41 -42.35 99.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.624 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . 0.54 HG23 ' O ' ' D' ' 4' ' ' VAL . 73.0 p -63.28 -41.6 99.02 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.16 -36.75 84.65 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.919 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -64.07 -32.96 74.7 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.323 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.36 -36.98 84.27 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.024 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.98 -43.93 98.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.881 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.475 ' O ' HD13 ' D' ' 28' ' ' LEU . 84.0 mmt-85 -65.57 -38.98 91.09 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.352 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 -60.23 -47.28 86.65 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.54 70.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.845 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -147.7 -16.65 0.37 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.374 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.587 ' OG1' HD11 ' D' ' 28' ' ' LEU . 0.6 OUTLIER -105.0 -13.15 15.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -77.78 -17.34 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.469 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -91.31 -10.31 41.84 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.234 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.413 ' N ' HH21 ' D' ' 25' ' ' ARG . 53.8 mtm -126.0 126.48 24.81 Favored Pre-proline 0 C--O 1.223 -0.305 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.218 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -59.18 94.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.818 1.679 . . . . 0.0 111.333 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.54 154.58 45.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.245 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.22 -10.48 59.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.3 -25.37 67.07 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.281 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.604 ' CZ ' HD21 ' C' ' 27' ' ' ASN . 99.4 mtt180 -59.18 -34.4 72.08 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.878 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -63.34 -41.32 98.86 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.418 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.59 HD21 ' CZ ' ' E' ' 25' ' ' ARG . 73.7 m-20 -63.16 -40.11 96.59 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.254 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.587 HD11 ' OG1' ' D' ' 17' ' ' THR . 8.6 mt -63.66 -44.12 94.73 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-O 122.031 0.919 . . . . 0.0 108.541 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.44 ' HG2' HD12 ' D' ' 33' ' ' ILE . 50.1 tt0 -61.89 -38.42 88.26 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 113.482 -1.69 . . . . 0.0 108.891 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -64.65 -45.77 85.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.087 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.88 -44.85 88.33 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.415 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 6.5 t80 -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.717 -0.793 . . . . 0.0 110.429 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.44 HD12 ' HG2' ' D' ' 29' ' ' GLN . 86.3 mt -64.7 -44.28 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.682 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -61.71 -48.0 82.75 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.504 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.15 -42.69 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.317 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.539 ' HB3' HD22 ' C' ' 37' ' ' LEU . 96.9 m -66.57 -38.45 87.1 Favored 'General case' 0 C--O 1.219 -0.5 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' E' ' 36' ' ' CYS . 25.7 mt -59.78 -42.16 92.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 28.8 mm -64.32 -43.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.12 -42.49 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.54 -42.81 97.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.91 -42.91 99.64 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.525 ' HA ' HD12 ' D' ' 45' ' ' ILE . 63.5 mt -62.33 -41.09 98.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.59 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.47 -43.36 99.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.36 -39.58 92.5 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.151 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' D' ' 42' ' ' LEU . 23.9 mt -62.29 -42.83 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -61.14 -38.93 88.15 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.27 -42.81 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.676 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.77 -41.87 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.388 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.28 -44.65 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.018 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.531 ' SD ' HD13 ' C' ' 52' ' ' LEU . 73.6 mtm -64.11 -41.7 97.15 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.307 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mt -64.65 -42.06 95.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.72 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.523 HD13 ' SD ' ' E' ' 50' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.853 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 56.1 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.37 -42.8 10.13 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.39 -45.03 77.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.72 0.771 . . . . 0.0 109.845 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.55 ' O ' HG23 ' E' ' 8' ' ' THR . 11.3 p -62.1 -26.48 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.453 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -63.34 -36.6 84.24 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.171 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -70.1 -42.1 73.15 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.944 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.445 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.8 mp -62.52 -42.22 99.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.6 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.55 HG23 ' O ' ' E' ' 4' ' ' VAL . 73.8 p -63.3 -41.71 98.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.1 -36.77 84.7 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.068 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 3.9 t -64.09 -32.76 74.44 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.277 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.91 83.89 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.166 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.19 -43.95 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.677 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.482 ' O ' HD13 ' E' ' 28' ' ' LEU . 83.5 mmt-85 -65.38 -39.35 92.14 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.344 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -59.86 -47.13 86.97 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.54 69.82 0.22 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.822 -0.751 . . . . 0.0 112.697 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -147.41 -16.7 0.38 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.458 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.592 ' OG1' HD11 ' E' ' 28' ' ' LEU . 0.6 OUTLIER -104.94 -13.23 15.86 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 39.5 pt -77.77 -17.28 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.54 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -91.11 -10.77 40.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.186 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 53.7 mtm -125.64 126.55 24.96 Favored Pre-proline 0 C--O 1.223 -0.318 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.362 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -59.32 94.57 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.753 1.636 . . . . 0.0 111.395 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.55 154.98 45.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.166 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -71.62 -10.34 59.61 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.43 67.22 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.228 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.59 ' CZ ' HD21 ' D' ' 27' ' ' ASN . 99.4 mtt180 -58.99 -34.75 72.2 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.74 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.11 -41.18 99.3 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.612 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.601 HD21 ' CZ ' ' A' ' 25' ' ' ARG . 73.3 m-20 -63.31 -40.16 96.56 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.233 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.592 HD11 ' OG1' ' E' ' 17' ' ' THR . 8.7 mt -63.6 -44.12 94.92 Favored 'General case' 0 CA--C 1.499 -1.005 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' E' ' 33' ' ' ILE . 49.6 tt0 -61.97 -38.29 87.98 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.873 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -64.8 -45.67 85.26 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.01 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.91 -44.9 88.04 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.432 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 6.4 t80 -62.59 -49.67 74.31 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.47 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.431 HD12 ' HG2' ' E' ' 29' ' ' GLN . 86.0 mt -64.9 -44.15 96.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.91 -47.8 83.31 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.479 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.11 -42.93 99.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.319 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -66.5 -38.31 86.98 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.546 HD22 ' HB3' ' A' ' 36' ' ' CYS . 26.0 mt -60.05 -42.31 94.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.0 -43.5 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.18 -42.38 99.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.786 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 30.1 mm -63.59 -42.81 97.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 90.5 m -61.77 -42.9 99.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.407 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' E' ' 45' ' ' ILE . 64.2 mt -62.43 -41.22 98.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.353 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.24 -43.48 98.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -65.3 -39.64 92.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.082 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' E' ' 42' ' ' LEU . 23.9 mt -62.34 -42.94 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -60.96 -39.02 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.22 -42.86 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.692 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.75 -41.82 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.26 -44.69 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.983 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.907 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.523 ' SD ' HD13 ' D' ' 52' ' ' LEU . 73.6 mtm -64.2 -41.5 97.04 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 120.065 -0.654 . . . . 0.0 110.388 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.92 -41.72 95.33 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.674 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.539 HD13 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.807 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -90.7 -1.41 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.229 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -111.24 -44.76 3.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.446 0.641 . . . . 0.0 110.198 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.43 -29.17 41.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.721 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.45 -41.42 97.19 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -64.62 -39.72 94.22 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.1 mp -62.25 -40.31 95.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -62.58 -41.41 98.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.628 ' HA ' HD12 ' A' ' 12' ' ' ILE . 72.8 mtt85 -63.71 -38.52 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -62.36 -32.25 73.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.443 0.639 . . . . 0.0 109.49 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.92 79.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.965 -1.016 . . . . 0.0 108.815 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 9' ' ' ARG . 23.2 mt -65.47 -43.03 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.717 -1.129 . . . . 0.0 108.756 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -60.97 -43.75 98.32 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.056 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.44 -43.06 98.49 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.339 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.52 63.79 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -82.0 -33.14 30.26 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.383 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' H ' HG23 ' A' ' 17' ' ' THR . 1.0 OUTLIER -67.36 -38.93 85.57 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 pt -68.53 -15.15 19.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.68 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -96.63 -37.03 10.52 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.36 117.99 0.64 Allowed Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.816 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.36 132.03 42.75 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.756 1.637 . . . . 0.0 111.249 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.613 ' H ' HD11 ' A' ' 28' ' ' LEU . 87.5 mt-30 -67.61 175.2 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.725 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.8 -40.06 91.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.072 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.09 65.84 9.29 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HE ' HD21 ' E' ' 27' ' ' ASN . 81.8 mtt85 -54.84 -30.25 57.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.495 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.06 -39.93 95.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.074 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.486 HD21 ' HE ' ' B' ' 25' ' ' ARG . 91.7 m-20 -65.71 -43.35 89.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD11 ' H ' ' A' ' 22' ' ' GLN . 10.9 mt -62.64 -44.96 94.96 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.365 0.602 . . . . 1.88 109.918 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -63.18 -36.68 84.44 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.649 -1.159 . . . . 2.17 108.841 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.127 -0.942 . . . . 2.6 110.112 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.25 -47.94 59.12 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.422 -0.511 . . . . 2.37 110.192 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -55.87 -43.24 76.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.002 0.43 . . . . 2.42 111.798 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG12 HG21 ' E' ' 33' ' ' ILE . 94.1 mt -71.16 -43.18 75.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.013 -0.994 . . . . 2.3 110.374 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.35 -49.62 76.88 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.922 -0.581 . . . . 2.2 110.879 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -66.0 -37.43 85.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.616 -0.434 . . . . 2.49 110.612 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 3.7 m -64.4 -41.18 96.78 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.067 -0.653 . . . . 2.48 109.522 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 37' ' ' LEU . 29.2 mt -66.61 -36.04 81.63 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.598 -1.183 . . . . 2.02 109.57 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -62.0 -45.14 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 N-CA-C 108.327 -0.99 . . . . 2.06 108.327 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.2 mt -59.71 -40.24 87.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.445 -0.576 . . . . 2.5 109.445 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.644 HG22 HD12 ' B' ' 40' ' ' ILE . 37.3 mm -63.36 -42.27 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.377 -0.971 . . . . 2.29 108.377 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.0 m -60.5 -46.53 89.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.052 -0.721 . . . . 2.18 109.052 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.42 -42.55 99.53 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.019 -0.363 . . . . 2.37 110.019 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.65 -42.23 92.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.966 -0.383 . . . . 2.32 109.966 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.7 -36.6 84.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.228 -0.442 . . . . 2.2 110.198 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.5 -42.24 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.572 -0.899 . . . . 2.3 108.572 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.03 -37.83 86.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 2.18 109.617 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.5 HG22 HD12 ' B' ' 47' ' ' ILE . 36.7 mm -64.17 -42.58 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.19 -0.671 . . . . 2.32 109.19 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' B' ' 47' ' ' ILE . 87.2 mt -63.1 -41.79 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 108.882 -0.785 . . . . 2.72 108.882 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.76 -43.97 98.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.762 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.465 ' CE ' HD22 ' E' ' 52' ' ' LEU . 87.8 mmm -63.12 -41.09 99.27 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.16 -37.84 88.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD22 ' CE ' ' B' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.521 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.875 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -90.61 -1.44 57.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.182 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -111.1 -45.01 3.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.638 . . . . 0.0 110.199 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -59.25 -28.95 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.564 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.686 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.75 -41.38 97.61 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.739 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -64.55 -39.84 94.48 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.43 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.0 mp -62.26 -40.0 94.76 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.97 -41.29 99.5 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.619 ' HA ' HD12 ' B' ' 12' ' ' ILE . 72.9 mtt85 -63.76 -38.48 91.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.272 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -62.33 -32.49 73.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.428 0.632 . . . . 0.0 109.548 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.0 81.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.816 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.2 mt -65.31 -43.02 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.767 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.408 ' O ' HG23 ' B' ' 17' ' ' THR . 86.7 mtm-85 -61.1 -43.71 98.46 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.068 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.49 -42.67 98.54 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.353 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.54 -17.94 63.61 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.066 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -81.53 -32.9 32.11 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.495 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.429 ' HB ' HD13 ' B' ' 28' ' ' LEU . 1.0 OUTLIER -67.5 -39.18 85.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 43.3 pt -68.32 -15.32 19.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.852 0.358 . . . . 0.0 110.657 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -96.28 -37.31 10.57 Favored 'General case' 0 CA--C 1.504 -0.799 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.1 118.05 0.66 Allowed Pre-proline 0 C--N 1.316 -0.874 0 CA-C-N 113.179 -1.828 . . . . 0.0 109.735 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -52.23 131.43 39.67 Favored 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 121.85 1.7 . . . . 0.0 111.307 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.601 ' H ' HD11 ' B' ' 28' ' ' LEU . 87.5 mt-30 -67.15 175.32 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.795 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.72 -40.99 94.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.45 67.45 10.12 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.486 ' HE ' HD21 ' A' ' 27' ' ' ASN . 81.7 mtt85 -56.5 -29.71 62.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.41 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.77 -43.06 99.79 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.517 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.497 HD21 ' HE ' ' C' ' 25' ' ' ARG . 93.8 m-20 -64.19 -40.93 97.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.109 0.48 . . . . 0.0 110.215 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 ' H ' ' B' ' 22' ' ' GLN . 11.7 mt -63.98 -45.08 90.64 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.482 0.658 . . . . 0.0 109.354 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -63.84 -35.88 82.09 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.223 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.98 -44.04 93.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.52 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.15 -44.54 75.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.385 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.54 -48.29 79.72 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.089 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.424 HG21 HG12 ' C' ' 33' ' ' ILE . 97.0 mt -67.6 -43.1 87.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.175 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.28 -49.36 77.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.015 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -65.72 -37.83 87.51 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.241 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.44 -44.38 94.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.4 mt -64.38 -35.55 81.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.05 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.5 -43.01 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.65 -40.09 93.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.644 HD12 HG22 ' A' ' 40' ' ' ILE . 37.6 mm -63.37 -42.3 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' C' ' 40' ' ' ILE . 71.1 m -61.05 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.537 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.87 98.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.59 -42.27 98.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.682 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.94 -35.99 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.32 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.07 -42.31 92.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 78.9 m -61.89 -37.69 85.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.614 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 47' ' ' ILE . 36.7 mm -64.21 -42.96 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.419 HG13 HD11 ' C' ' 47' ' ' ILE . 87.4 mt -62.65 -41.67 93.12 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -62.05 -43.85 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.838 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.481 ' CE ' HD22 ' A' ' 52' ' ' LEU . 87.9 mmm -63.12 -41.05 99.26 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.254 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.27 -37.99 88.89 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.48 HD22 ' CE ' ' C' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.864 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -90.95 -1.7 57.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.157 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -110.9 -45.04 3.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.499 0.666 . . . . 0.0 110.269 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.18 -29.06 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.715 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.67 -41.4 97.49 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.82 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -64.59 -39.72 94.24 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.439 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.1 mp -62.4 -39.91 94.79 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 18.2 m -62.98 -41.31 99.53 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.336 -0.986 . . . . 0.0 108.336 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.624 ' HA ' HD12 ' C' ' 12' ' ' ILE . 73.0 mtt85 -63.57 -38.62 91.82 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -62.34 -32.22 72.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.457 0.646 . . . . 0.0 109.583 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.59 -41.08 80.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.702 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' C' ' 9' ' ' ARG . 23.0 mt -65.32 -43.11 95.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.849 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.404 ' O ' HG23 ' C' ' 17' ' ' THR . 86.6 mtm-85 -61.01 -43.7 98.5 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -63.34 -42.94 98.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.4 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.4 -17.42 63.66 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.093 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 75.7 m -82.12 -32.93 29.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.385 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.443 HG23 ' H ' ' C' ' 17' ' ' THR . 1.0 OUTLIER -67.46 -39.06 85.29 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -68.41 -15.33 19.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.888 0.375 . . . . 0.0 110.72 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -96.41 -37.39 10.48 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttm -168.04 117.92 0.66 Allowed Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 113.17 -1.832 . . . . 0.0 109.814 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.35 131.46 40.29 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.775 1.65 . . . . 0.0 111.314 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.602 ' H ' HD11 ' C' ' 28' ' ' LEU . 87.5 mt-30 -67.17 175.05 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.769 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.41 -41.02 93.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.51 67.56 10.14 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.497 ' HE ' HD21 ' B' ' 27' ' ' ASN . 81.8 mtt85 -56.68 -29.97 62.92 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.58 -42.89 99.83 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.559 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.485 HD21 ' HE ' ' D' ' 25' ' ' ARG . 93.9 m-20 -64.38 -40.84 96.61 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.27 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.602 HD11 ' H ' ' C' ' 22' ' ' GLN . 11.7 mt -63.98 -45.17 90.24 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 121.435 0.636 . . . . 0.0 109.307 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -63.71 -36.12 82.8 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.187 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -63.71 -44.3 94.02 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.584 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.01 -44.52 76.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.362 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.55 -48.3 79.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.011 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.424 HG12 HG21 ' B' ' 33' ' ' ILE . 97.1 mt -67.54 -43.11 87.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.103 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -60.14 -49.32 78.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.079 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -65.8 -37.71 87.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.208 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 3.6 m -63.58 -44.56 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.2 -35.64 81.46 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.053 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.39 -42.91 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -61.62 -40.1 93.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.633 HD12 HG22 ' B' ' 40' ' ' ILE . 37.6 mm -63.36 -42.33 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.464 ' SG ' HD11 ' D' ' 40' ' ' ILE . 72.0 m -61.31 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.487 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.5 -40.53 97.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.05 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 21.3 mt -61.78 -42.39 98.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.754 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 33.2 mt -63.82 -36.09 82.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.332 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.27 92.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 83.3 m -61.79 -37.8 85.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.602 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.491 HD12 HG22 ' B' ' 47' ' ' ILE . 37.0 mm -64.17 -42.97 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' D' ' 47' ' ' ILE . 87.7 mt -62.63 -41.71 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.7 t -61.92 -43.75 97.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.48 ' CE ' HD22 ' B' ' 52' ' ' LEU . 87.5 mmm -63.3 -40.94 98.73 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.35 -37.76 88.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.487 HD22 ' CE ' ' D' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.567 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -90.44 -1.78 57.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -110.73 -44.99 3.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.408 0.623 . . . . 0.0 110.304 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.24 -29.19 41.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.67 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.44 -41.51 97.3 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.789 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -64.56 -39.79 94.38 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.439 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.1 mp -62.35 -39.76 94.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -63.13 -41.32 99.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.631 ' HA ' HD12 ' D' ' 12' ' ' ILE . 72.9 mtt85 -63.65 -38.47 91.25 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.27 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -62.38 -32.33 73.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.382 0.611 . . . . 0.0 109.526 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 -41.12 80.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.728 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' D' ' 9' ' ' ARG . 23.1 mt -65.34 -43.11 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.839 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.403 ' O ' HG23 ' D' ' 17' ' ' THR . 86.5 mtm-85 -60.98 -43.71 98.44 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.138 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -63.43 -42.68 98.7 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.336 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.73 -17.18 63.43 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -82.24 -32.85 29.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.476 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.438 ' HB ' HD13 ' D' ' 28' ' ' LEU . 1.0 OUTLIER -67.64 -39.04 84.64 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 44.6 pt -68.39 -15.08 19.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.886 0.374 . . . . 0.0 110.683 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -96.74 -37.26 10.37 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttm -168.14 117.89 0.65 Allowed Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 113.179 -1.828 . . . . 0.0 109.766 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -52.32 131.27 39.32 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 121.851 1.701 . . . . 0.0 111.355 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.588 ' H ' HD11 ' D' ' 28' ' ' LEU . 87.5 mt-30 -67.0 174.94 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.834 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -60.4 -40.74 92.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.117 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.84 67.53 10.06 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.485 ' HE ' HD21 ' C' ' 27' ' ' ASN . 81.7 mtt85 -56.66 -29.7 62.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.378 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.8 -43.01 99.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.514 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.474 HD21 ' HE ' ' E' ' 25' ' ' ARG . 94.0 m-20 -64.3 -40.88 96.83 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.246 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.588 HD11 ' H ' ' D' ' 22' ' ' GLN . 11.6 mt -63.98 -45.15 90.36 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -63.66 -36.17 82.96 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.227 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -63.73 -44.41 93.63 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.58 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.96 -44.41 76.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.378 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.66 -48.11 80.4 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.959 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.438 HG21 HG12 ' E' ' 33' ' ' ILE . 97.2 mt -67.69 -43.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -60.32 -48.97 79.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -66.04 -37.84 86.88 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.198 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 3.4 m -63.58 -44.57 93.69 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.14 -35.71 81.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.047 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.31 -42.93 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.59 -40.14 93.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.63 HG22 HD12 ' E' ' 40' ' ' ILE . 37.9 mm -63.39 -42.35 95.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.471 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.4 m -61.22 -45.2 95.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.542 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.53 -40.7 97.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.39 98.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.709 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.7 -36.32 83.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.254 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -60.92 -42.23 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 81.3 m -61.92 -37.74 85.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.559 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.472 HD12 HG22 ' C' ' 47' ' ' ILE . 37.0 mm -64.18 -42.91 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.428 HG13 HD11 ' E' ' 47' ' ' ILE . 86.3 mt -62.72 -41.6 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.06 -43.75 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.849 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.487 ' CE ' HD22 ' C' ' 52' ' ' LEU . 87.7 mmm -63.26 -40.87 98.64 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.238 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -65.46 -37.77 87.84 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.484 HD22 ' CE ' ' E' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.58 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.834 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mtp . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -90.56 -1.62 57.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.198 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.95 -44.94 3.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.506 0.669 . . . . 0.0 110.239 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.38 -29.05 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.716 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.67 -41.36 97.46 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.847 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -64.51 -39.76 94.37 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.1 mp -62.41 -39.86 94.66 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -62.97 -41.45 99.55 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' E' ' 12' ' ' ILE . 73.0 mtt85 -63.61 -38.46 91.22 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.243 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -62.38 -32.33 73.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.361 0.6 . . . . 0.0 109.419 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.4 -41.21 80.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.742 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' E' ' 9' ' ' ARG . 22.9 mt -65.29 -43.06 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.865 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.408 ' O ' HG23 ' E' ' 17' ' ' THR . 86.6 mtm-85 -61.08 -43.58 98.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.141 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -63.66 -42.78 98.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.47 -17.63 63.64 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 75.3 m -81.88 -32.94 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.452 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.431 ' HB ' HD13 ' E' ' 28' ' ' LEU . 1.0 OUTLIER -67.54 -39.08 85.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -68.42 -15.18 19.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.813 0.339 . . . . 0.0 110.677 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -96.42 -37.29 10.51 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 2.8 ttm -168.21 118.07 0.65 Allowed Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 113.177 -1.829 . . . . 0.0 109.78 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -52.45 131.12 39.18 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.777 1.651 . . . . 0.0 111.413 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.585 ' H ' HD11 ' E' ' 28' ' ' LEU . 87.5 mt-30 -66.68 175.25 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.77 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.77 -40.91 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.074 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.5 67.36 10.08 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.474 ' HE ' HD21 ' D' ' 27' ' ' ASN . 81.7 mtt85 -56.39 -29.88 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.352 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.54 -43.39 98.94 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.51 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.489 HD21 ' HE ' ' A' ' 25' ' ' ARG . 93.8 m-20 -64.04 -40.82 97.14 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.213 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.585 HD11 ' H ' ' E' ' 22' ' ' GLN . 11.7 mt -63.92 -45.3 89.86 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.206 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -63.82 -44.44 93.24 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.8 -44.56 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.409 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.5 -48.34 79.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.06 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.438 HG12 HG21 ' D' ' 33' ' ' ILE . 97.3 mt -67.7 -43.05 86.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.072 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -60.28 -49.3 78.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.999 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -65.82 -37.81 87.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.163 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.61 -44.29 94.41 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.42 -35.56 81.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.043 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.43 -43.09 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.53 -40.08 93.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.63 HD12 HG22 ' D' ' 40' ' ' ILE . 37.6 mm -63.42 -42.32 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' ' 40' ' ' ILE . 71.8 m -61.09 -45.47 94.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.596 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.34 -40.72 98.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.084 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.63 -42.24 98.62 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.73 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 33.4 mt -63.99 -36.03 82.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -61.04 -42.36 92.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 79.9 m -61.91 -37.56 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.656 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.477 HG22 HD12 ' A' ' 47' ' ' ILE . 36.5 mm -64.3 -42.99 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.411 HG13 HD11 ' A' ' 47' ' ' ILE . 87.0 mt -62.61 -41.64 92.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.02 -43.88 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.777 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.484 ' CE ' HD22 ' D' ' 52' ' ' LEU . 87.2 mmm -63.07 -41.0 99.33 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.39 -37.92 88.44 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 50' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.908 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -79.54 6.88 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.292 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.16 -46.54 89.33 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.41 -32.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 114.027 -1.442 . . . . 0.0 111.004 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -34.03 77.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.24 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -66.89 -54.49 21.69 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.3 mp -55.73 -39.53 71.26 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.3 m -61.01 -49.89 75.58 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' A' ' 12' ' ' ILE . 78.2 ttt180 -56.28 -44.66 80.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.278 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.7 p -65.82 -32.08 73.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.103 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.28 94.28 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.8 mt -60.52 -43.2 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.388 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.693 ' O ' HD13 ' A' ' 28' ' ' LEU . 95.6 mtt180 -62.46 -45.46 92.97 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.214 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -53.49 -55.61 23.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.79 69.6 0.37 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.119 -1.032 . . . . 0.0 112.284 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -142.52 -25.82 0.63 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.115 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.601 ' OG1' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -101.5 -15.04 17.26 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.5 pt -67.99 -19.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.74 -10.14 27.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.028 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.492 ' N ' HH21 ' A' ' 25' ' ' ARG . 47.1 mtm -119.79 110.75 36.5 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.667 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -49.82 95.44 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.794 0 C-N-CA 122.304 2.003 . . . . 0.0 111.433 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.09 156.64 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.826 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -70.88 -11.39 60.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.11 -25.6 68.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.747 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.492 HH21 ' N ' ' A' ' 20' ' ' MET . 95.2 mtt180 -58.57 -38.75 78.53 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.401 HE22 ' CB ' ' E' ' 26' ' ' GLN . 35.5 mm-40 -66.9 -35.0 79.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.268 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -64.03 -42.83 96.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -65.67 -45.87 81.25 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 119.967 -0.693 . . . . 2.02 109.682 -179.567 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -54.72 -40.75 69.54 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-N 114.522 -1.217 . . . . 2.01 108.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -64.55 -40.02 94.82 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.455 -1.248 . . . . 2.64 111.036 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.79 -48.6 63.24 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 120.374 -0.531 . . . . 2.4 111.766 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -58.41 -40.03 81.32 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.523 -0.471 . . . . 2.38 111.251 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -68.24 -43.56 84.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.521 -0.763 . . . . 2.3 109.927 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.7 -46.21 89.19 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.596 -0.441 . . . . 2.2 110.188 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -62.66 -42.73 99.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.82 -0.352 . . . . 2.4 110.277 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 88.8 m -62.84 -39.26 93.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.448 -0.501 . . . . 2.52 109.805 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' B' ' 36' ' ' CYS . 25.5 mt -65.99 -38.27 88.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.794 . . . . 2.1 109.975 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.1 mm -62.24 -43.69 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 108.919 -0.771 . . . . 1.99 108.919 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -58.49 -40.47 82.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.33 -0.619 . . . . 2.44 109.33 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.553 HG22 HD12 ' B' ' 40' ' ' ILE . 37.2 mm -63.29 -42.45 96.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.664 -0.865 . . . . 2.39 108.664 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' SG ' HD11 ' B' ' 40' ' ' ILE . 73.4 m -60.62 -45.05 95.49 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.943 -0.762 . . . . 2.18 108.943 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.7 -43.06 99.58 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.669 0.271 . . . . 2.23 110.574 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.4 mt -58.99 -42.78 90.83 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.133 -0.691 . . . . 2.35 109.133 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.55 -39.07 93.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.894 -0.593 . . . . 2.27 109.617 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.39 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.795 -0.817 . . . . 2.37 108.795 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -60.95 -39.33 89.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.572 . . . . 2.32 109.669 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -65.13 -41.63 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.645 -0.707 . . . . 2.13 110.147 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.576 HG23 ' SD ' ' B' ' 50' ' ' MET . 80.0 mt -64.18 -44.22 97.47 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 115.561 -0.745 . . . . 2.66 109.176 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -61.2 -44.66 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.957 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.522 ' SD ' HG23 ' E' ' 48' ' ' ILE . 47.2 mtt -64.08 -39.1 93.33 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.226 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.82 -38.77 92.1 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.994 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mtp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -79.42 6.53 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.256 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.43 -45.26 94.26 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 121.771 0.796 . . . . 0.0 108.859 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.4 -32.56 58.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.136 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -34.58 78.23 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.265 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -67.14 -47.2 71.78 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.405 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.3 mp -62.31 -40.43 96.28 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.382 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 72.6 m -61.94 -43.84 98.01 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' B' ' 12' ' ' ILE . 77.9 ttt180 -61.98 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.583 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 94.4 p -65.88 -32.29 73.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.237 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.74 93.34 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.087 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.0 mt -62.81 -43.34 98.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.062 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.587 ' O ' HD13 ' B' ' 28' ' ' LEU . 95.5 mtt180 -65.25 -38.25 89.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.493 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -59.69 -51.66 68.82 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.98 71.13 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 119.506 -0.878 . . . . 0.0 112.646 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -143.7 -26.47 0.55 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.735 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.601 ' OG1' HD11 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -101.24 -15.3 17.35 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 pt -67.87 -19.5 24.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.352 0.596 . . . . 0.0 109.569 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.82 -10.27 26.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.949 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.493 ' N ' HH21 ' B' ' 25' ' ' ARG . 47.1 mtm -119.81 110.85 36.38 Favored Pre-proline 0 C--O 1.224 -0.244 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.559 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.92 95.65 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.833 0 C-N-CA 122.236 1.957 . . . . 0.0 111.421 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.38 156.23 44.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.908 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.55 -11.42 60.92 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.15 -26.11 68.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.662 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.493 HH21 ' N ' ' B' ' 20' ' ' MET . 95.3 mtt180 -58.09 -38.75 77.01 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -66.31 -36.96 84.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.012 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -63.24 -39.35 94.35 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.45 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.601 HD11 ' OG1' ' B' ' 17' ' ' THR . 0.6 OUTLIER -68.75 -45.76 70.61 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 119.815 -0.754 . . . . 0.0 109.021 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -54.79 -40.14 69.15 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.095 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -63.81 -44.65 92.66 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.464 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 -45.04 87.15 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -60.76 -43.97 97.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.769 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.27 -43.57 95.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -62.63 -47.2 84.79 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.987 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -61.05 -43.91 98.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.453 ' HB2' HD13 ' A' ' 37' ' ' LEU . 76.2 m -61.7 -41.6 97.81 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.62 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.9 mt -64.21 -38.34 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.446 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.3 mm -62.16 -42.12 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.98 -40.36 88.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.553 HD12 HG22 ' A' ' 40' ' ' ILE . 37.4 mm -63.17 -42.54 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.463 ' SG ' HD11 ' C' ' 40' ' ' ILE . 74.0 m -61.11 -43.42 98.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.735 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.09 -41.57 99.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.385 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.18 -42.24 98.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.75 -39.04 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.553 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -61.27 -39.15 89.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.87 -42.83 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.05 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.9 mt -63.47 -42.62 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.631 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 40.9 t -62.84 -44.67 99.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.613 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.576 ' SD ' HG23 ' A' ' 48' ' ' ILE . 46.7 mtt -64.11 -38.83 92.47 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.183 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.98 -39.09 92.95 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.184 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mtp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -79.5 6.46 10.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.249 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.24 -45.26 93.86 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.53 -32.46 58.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -34.29 77.59 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.304 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.46 -47.05 71.25 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.403 ' N ' HD12 ' C' ' 7' ' ' LEU . 7.2 mp -62.32 -40.7 97.2 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.313 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 68.1 m -61.95 -43.51 98.69 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.615 ' HA ' HD12 ' C' ' 12' ' ' ILE . 78.0 ttt180 -62.47 -43.9 97.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.708 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -66.09 -32.05 73.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.095 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.72 92.59 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.176 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' C' ' 9' ' ' ARG . 23.4 mt -62.87 -43.36 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 CA-C-N 114.771 -1.104 . . . . 0.0 108.86 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.585 ' O ' HD13 ' C' ' 28' ' ' LEU . 95.2 mtt180 -65.16 -38.03 89.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.636 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -59.9 -51.93 67.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.49 71.02 0.15 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.394 -0.923 . . . . 0.0 112.814 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -143.85 -25.84 0.55 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.588 ' OG1' HD11 ' C' ' 28' ' ' LEU . 0.5 OUTLIER -101.53 -15.21 17.18 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.747 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 pt -67.89 -19.79 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -96.61 -10.35 27.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.824 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.492 ' N ' HH21 ' C' ' 25' ' ' ARG . 47.9 mtm -119.59 110.72 36.86 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.641 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -49.83 95.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.766 0 C-N-CA 122.17 1.914 . . . . 0.0 111.586 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -143.56 156.37 44.58 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.851 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.42 -11.74 61.12 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.85 -26.04 68.43 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.703 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.492 HH21 ' N ' ' C' ' 20' ' ' MET . 95.3 mtt180 -58.31 -38.87 77.94 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.705 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -66.2 -37.03 84.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.078 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.401 ' O ' HD13 ' C' ' 31' ' ' LEU . 22.5 m120 -63.33 -39.2 93.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.482 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.588 HD11 ' OG1' ' C' ' 17' ' ' THR . 0.6 OUTLIER -68.69 -45.82 70.65 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.047 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -54.93 -40.0 69.43 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.036 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -63.87 -44.65 92.46 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.501 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.401 HD13 ' O ' ' C' ' 27' ' ' ASN . 7.5 mp -65.22 -44.95 86.6 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -60.74 -44.25 96.92 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.586 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.09 -43.66 95.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.487 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.63 -46.88 86.22 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.35 -43.52 98.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.458 ' HB2' HD13 ' B' ' 37' ' ' LEU . 82.7 m -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.714 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.5 mt -64.42 -38.19 90.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.309 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 9.0 mm -62.39 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.04 -40.2 88.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.529 HG22 HD12 ' D' ' 40' ' ' ILE . 36.8 mm -63.36 -42.53 96.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' D' ' 40' ' ' ILE . 74.0 m -61.21 -43.47 98.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.709 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 78.6 mt -62.95 -41.38 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.35 -41.89 97.8 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 25.7 mt -64.25 -38.85 92.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.571 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.45 -43.0 97.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.52 -39.03 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -64.97 -42.76 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.01 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.546 HG23 ' SD ' ' D' ' 50' ' ' MET . 81.7 mt -63.54 -42.72 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.524 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.642 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.61 -44.87 99.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' B' ' 48' ' ' ILE . 46.3 mtt -63.97 -39.08 93.32 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.22 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.79 -38.93 92.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.593 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.292 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -79.69 6.64 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.38 -45.01 95.09 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.867 0.841 . . . . 0.0 109.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.69 -32.45 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -34.32 77.67 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 120.015 -0.674 . . . . 0.0 110.326 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -67.41 -46.97 71.63 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.403 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.2 mp -62.41 -40.61 97.08 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.281 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 69.7 m -62.13 -43.54 98.6 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.582 ' HA ' HD12 ' D' ' 12' ' ' ILE . 78.2 ttt180 -62.36 -43.93 97.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -66.05 -32.26 73.62 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.123 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.79 93.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.136 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' D' ' 9' ' ' ARG . 23.7 mt -62.94 -43.22 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 0 CA-C-N 114.716 -1.129 . . . . 0.0 108.827 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.583 ' O ' HD13 ' D' ' 28' ' ' LEU . 95.3 mtt180 -65.23 -38.29 89.92 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.629 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -59.63 -51.62 69.04 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.85 71.02 0.14 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.829 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 16.1 m -143.79 -25.87 0.56 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.837 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.597 ' OG1' HD11 ' D' ' 28' ' ' LEU . 0.5 OUTLIER -101.44 -15.55 17.14 Favored 'General case' 0 C--O 1.218 -0.566 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.62 -19.94 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.291 0.567 . . . . 0.0 109.546 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.52 -10.27 27.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.97 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.482 ' N ' HH21 ' D' ' 25' ' ' ARG . 47.3 mtm -119.64 110.8 36.7 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.676 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -49.84 95.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.764 0 C-N-CA 122.177 1.918 . . . . 0.0 111.481 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -143.86 155.91 44.28 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.832 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.02 -11.75 61.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -26.14 68.49 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.811 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.482 HH21 ' N ' ' D' ' 20' ' ' MET . 95.3 mtt180 -58.16 -38.78 77.29 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.783 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.407 ' CB ' HE22 ' E' ' 26' ' ' GLN . 37.2 mm-40 -66.18 -37.21 85.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.26 -39.39 94.48 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.488 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.597 HD11 ' OG1' ' D' ' 17' ' ' THR . 0.6 OUTLIER -68.69 -45.59 71.26 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.077 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -54.82 -40.3 69.42 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.95 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -63.54 -44.93 92.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.56 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.86 -44.96 88.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.754 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.03 -43.67 95.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.452 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -62.7 -46.64 87.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.097 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -61.46 -43.48 98.79 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.456 ' HB2' HD13 ' C' ' 37' ' ' LEU . 85.3 m -62.18 -41.41 98.31 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.666 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' E' ' 36' ' ' CYS . 27.1 mt -64.33 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.368 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.26 -41.92 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.28 -40.06 89.08 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.529 HD12 HG22 ' C' ' 40' ' ' ILE . 37.2 mm -63.52 -42.45 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.462 ' SG ' HD11 ' E' ' 40' ' ' ILE . 73.8 m -61.25 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.655 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.96 -41.4 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.47 -42.06 98.19 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.94 -38.9 92.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.627 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.37 -43.01 97.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.53 -39.24 90.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.91 -42.78 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.957 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.554 HG23 ' SD ' ' E' ' 50' ' ' MET . 81.9 mt -63.55 -42.65 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.743 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -62.69 -44.8 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 CA-C-N 114.702 -1.135 . . . . 0.0 109.608 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.546 ' SD ' HG23 ' C' ' 48' ' ' ILE . 46.8 mtt -64.02 -39.05 93.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.77 -38.9 92.54 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.64 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.178 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 98.3 mtp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -79.64 6.34 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.239 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.26 -44.8 94.97 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.739 0.78 . . . . 0.0 109.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 p -65.79 -32.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -34.81 78.79 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.228 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -67.03 -47.25 71.96 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -62.15 -40.74 96.99 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -61.89 -43.69 98.34 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.595 ' HA ' HD12 ' E' ' 12' ' ' ILE . 78.0 ttt180 -62.21 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.645 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -66.31 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.121 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.85 93.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.104 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.4 mt -62.75 -43.33 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.901 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.567 ' O ' HD13 ' E' ' 28' ' ' LEU . 95.3 mtt180 -65.23 -38.28 89.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.595 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -59.75 -51.65 68.84 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.8 71.02 0.14 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.873 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -143.64 -26.26 0.56 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.726 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.604 ' OG1' HD11 ' E' ' 28' ' ' LEU . 0.5 OUTLIER -101.23 -15.5 17.29 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.5 -19.63 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.264 0.554 . . . . 0.0 109.529 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -96.8 -10.16 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.015 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.496 ' N ' HH21 ' E' ' 25' ' ' ARG . 47.6 mtm -119.82 110.83 36.38 Favored Pre-proline 0 C--O 1.225 -0.207 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.604 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -49.85 95.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.497 1.734 0 C-N-CA 122.25 1.967 . . . . 0.0 111.439 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -143.53 156.14 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.878 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -70.24 -11.57 60.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.19 68.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.687 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.496 HH21 ' N ' ' E' ' 20' ' ' MET . 95.3 mtt180 -58.07 -38.58 76.62 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.407 HE22 ' CB ' ' D' ' 26' ' ' GLN . 36.9 mm-40 -66.46 -37.09 84.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.111 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -63.23 -39.68 95.29 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.485 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.604 HD11 ' OG1' ' E' ' 17' ' ' THR . 0.6 OUTLIER -68.3 -45.78 72.1 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -54.8 -40.32 69.37 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.965 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -63.48 -45.2 91.87 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.73 -44.91 88.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -60.55 -44.48 96.09 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.24 -43.51 95.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -62.56 -46.72 87.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -61.43 -43.78 98.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.446 ' HB2' HD13 ' D' ' 37' ' ' LEU . 76.3 m -61.89 -41.67 98.16 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.354 -0.539 . . . . 0.0 109.633 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 26.8 mt -64.22 -38.24 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.313 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 mm -62.29 -42.02 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.13 -40.26 89.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.525 HG22 HD12 ' A' ' 40' ' ' ILE . 37.3 mm -63.23 -42.4 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.444 ' SG ' HD11 ' A' ' 40' ' ' ILE . 74.4 m -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.756 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.19 -41.46 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.35 -42.18 98.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.76 -39.03 93.28 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.617 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.49 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.42 -38.99 89.12 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -65.04 -42.79 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.956 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 50' ' ' MET . 81.2 mt -63.41 -42.65 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.591 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.608 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.83 -44.64 99.69 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.648 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.554 ' SD ' HG23 ' D' ' 48' ' ' ILE . 47.2 mtt -64.03 -39.03 93.18 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.14 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.75 -39.17 93.18 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.167 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 ttp . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.79 3.46 29.34 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.96 -39.26 93.73 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-O 121.937 0.875 . . . . 0.0 108.732 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 8' ' ' THR . 4.0 m -60.5 -25.93 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.157 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.19 -36.04 82.95 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.127 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -69.72 -40.82 76.0 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.787 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.0 mp -63.21 -44.89 94.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.185 0.517 . . . . 0.0 110.055 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 4' ' ' VAL . 71.7 p -66.49 -38.5 87.41 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 12' ' ' ILE . 78.0 ttt180 -63.84 -42.18 97.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.792 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -68.58 -30.27 68.99 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.793 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.1 96.32 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 9' ' ' ARG . 22.8 mt -63.77 -41.91 94.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 114.395 -1.275 . . . . 0.0 109.027 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 HH21 ' NE ' ' A' ' 9' ' ' ARG . 95.9 mtt-85 -61.39 -38.96 88.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.541 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.33 -39.6 95.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.98 -9.28 58.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.443 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.61 -21.78 23.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.92 -31.74 27.62 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.779 -0.369 . . . . 0.0 111.041 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.11 -12.1 15.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.013 0.435 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB3' HD11 ' E' ' 31' ' ' LEU . 12.0 pt-20 -138.1 20.5 2.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.337 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -35.71 124.54 0.65 Allowed Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 124.068 0.855 . . . . 0.0 111.633 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.95 110.51 3.09 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 121.899 1.733 . . . . 0.0 111.374 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.31 -173.71 2.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.229 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.87 -21.89 65.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.502 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.13 66.97 1.53 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.827 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -55.92 -32.21 63.59 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.982 0.42 . . . . 0.0 110.226 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -30.23 71.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.323 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -67.98 -42.52 80.68 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.454 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 12.5 mt -64.14 -46.59 83.41 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.193 -0.669 . . . . 1.9 109.193 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -58.93 -38.62 79.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 114.551 -1.204 . . . . 2.19 108.357 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.449 HD21 HD21 ' A' ' 34' ' ' ASN . 7.9 t-20 -64.27 -40.21 95.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.707 -1.133 . . . . 2.65 109.848 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' B' ' 19' ' ' GLU . 8.3 mp -68.8 -47.75 65.33 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.426 -0.51 . . . . 2.34 111.263 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.415 ' HB2' HD21 ' E' ' 30' ' ' ASN . 40.1 m-85 -58.81 -40.34 83.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.386 -0.526 . . . . 2.37 111.241 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.14 -43.69 81.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 2.3 109.955 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.449 HD21 HD21 ' A' ' 30' ' ' ASN . 96.3 m-20 -62.23 -46.53 88.43 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.428 -0.509 . . . . 2.29 110.168 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -63.22 -43.36 98.33 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.188 -0.205 . . . . 2.47 110.652 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.47 ' HB2' HD13 ' E' ' 37' ' ' LEU . 93.7 m -63.57 -39.28 93.99 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.386 -0.526 . . . . 2.42 110.15 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 ' HB2' ' B' ' 36' ' ' CYS . 27.8 mt -65.57 -39.14 91.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.349 -0.841 . . . . 2.01 109.437 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.1 -44.91 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.891 -0.781 . . . . 2.19 108.891 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 78.7 mt -61.63 -38.13 86.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.659 -0.497 . . . . 2.56 109.659 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.94 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.723 -0.844 . . . . 2.26 108.723 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 94.9 m -61.74 -40.63 95.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.029 -0.987 . . . . 1.99 109.391 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.67 -43.2 99.4 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.881 -0.414 . . . . 2.34 109.881 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.256 -0.646 . . . . 2.54 109.256 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.97 -39.21 94.0 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.761 -0.654 . . . . 2.24 109.486 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -58.78 -41.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.446 -0.946 . . . . 2.22 108.446 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.73 -36.57 79.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 2.11 109.294 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.0 mm -63.91 -42.73 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.298 -0.63 . . . . 2.27 109.298 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.84 -43.74 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 N-CA-C 109.038 -0.727 . . . . 2.92 109.038 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -60.92 -45.22 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.297 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 88.1 mmm -63.67 -40.47 96.9 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.39 -38.71 92.0 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -82.04 3.45 26.72 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.06 -38.9 92.75 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 122.025 0.917 . . . . 0.0 108.726 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.497 ' O ' HG23 ' B' ' 8' ' ' THR . 4.2 m -61.04 -25.97 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.933 -1.485 . . . . 0.0 110.123 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -64.99 -36.42 84.36 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.142 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.46 -40.92 76.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.786 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.9 mp -63.63 -42.65 98.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.82 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 4' ' ' VAL . 75.5 p -69.24 -36.54 77.27 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' B' ' 12' ' ' ILE . 77.6 ttt180 -64.95 -42.4 94.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.507 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -68.53 -30.46 69.27 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.745 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.15 94.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.1 mt -64.64 -42.14 94.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.002 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.405 HH21 ' NE ' ' B' ' 9' ' ' ARG . 95.9 mtt-85 -60.82 -39.29 88.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.405 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -62.94 -40.15 96.78 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.65 -9.06 58.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.92 -21.42 23.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.833 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' B' ' 13' ' ' ARG . 1.2 p -83.23 -31.89 26.77 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.968 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 45.4 pt -69.05 -12.04 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.033 0.444 . . . . 0.0 109.92 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.405 ' HB3' HD11 ' A' ' 31' ' ' LEU . 12.0 pt-20 -138.2 20.81 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.228 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.45 124.65 0.74 Allowed Pre-proline 0 CA--C 1.534 0.356 0 O-C-N 124.02 0.825 . . . . 0.0 111.702 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -75.81 110.32 3.06 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.008 1.805 . . . . 0.0 111.442 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -120.42 -173.62 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.195 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -67.64 -22.57 65.32 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.67 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -134.07 71.74 1.46 Allowed 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.679 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -60.35 -31.49 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -64.34 -33.12 75.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.981 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' B' ' 26' ' ' GLN . 86.6 m-20 -66.09 -41.28 90.88 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.21 -47.56 79.25 Favored 'General case' 0 CA--C 1.501 -0.916 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -59.26 -37.01 76.56 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 114.51 -1.223 . . . . 0.0 108.933 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.46 HD21 HD21 ' B' ' 34' ' ' ASN . 7.7 t-20 -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.372 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' C' ' 19' ' ' GLU . 8.3 mp -65.92 -44.4 85.26 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.411 ' HB2' HD21 ' A' ' 30' ' ' ASN . 41.1 m-85 -61.16 -44.97 96.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.861 -0.735 . . . . 0.0 109.845 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.09 -43.74 95.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.654 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.46 HD21 HD21 ' B' ' 30' ' ' ASN . 95.6 m-20 -62.52 -46.7 87.22 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.977 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -62.22 -43.75 98.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.498 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.475 ' HB2' HD13 ' A' ' 37' ' ' LEU . 90.7 m -63.49 -41.68 98.56 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.785 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 36' ' ' CYS . 30.2 mt -63.38 -39.4 94.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.987 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.97 -43.14 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.78 -38.66 91.5 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.72 -42.64 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 92.8 m -62.05 -39.99 94.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.959 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.96 -41.57 99.57 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.79 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.08 -43.43 98.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.15 -36.94 85.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.78 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.78 -41.33 88.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.68 -36.31 78.43 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.69 -43.23 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.9 -42.76 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.459 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.96 -44.94 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.107 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.69 -40.53 97.03 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.221 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.39 -38.61 91.65 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 117.797 -1.097 . . . . 0.0 109.89 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.56 3.38 28.83 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.85 -38.9 92.8 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 122.003 0.906 . . . . 0.0 108.726 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.494 ' O ' HG23 ' C' ' 8' ' ' THR . 4.0 m -61.12 -25.85 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 113.873 -1.512 . . . . 0.0 110.224 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.14 -36.21 83.54 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.086 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.57 -40.92 76.47 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.882 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.8 mp -63.69 -42.71 97.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.824 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 4' ' ' VAL . 76.9 p -69.03 -36.59 77.9 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' C' ' 12' ' ' ILE . 78.0 ttt180 -65.04 -42.17 94.54 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.58 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 78.1 p -68.68 -30.35 69.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.702 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.27 94.85 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' C' ' 9' ' ' ARG . 23.1 mt -64.66 -42.0 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 114.593 -1.185 . . . . 0.0 108.896 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.4 HH21 ' NE ' ' C' ' 9' ' ' ARG . 95.9 mtt-85 -60.95 -38.91 87.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.462 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.36 -39.84 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.377 0.608 . . . . 0.0 109.442 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.8 -9.19 58.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.491 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -88.81 -21.84 23.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -82.74 -32.03 28.1 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.988 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 45.3 pt -68.84 -12.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.432 ' HB3' HD11 ' B' ' 31' ' ' LEU . 12.0 pt-20 -138.19 20.84 2.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.31 124.44 0.73 Allowed Pre-proline 0 CA--C 1.534 0.351 0 O-C-N 124.083 0.864 . . . . 0.0 111.587 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.9 110.94 3.18 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 121.845 1.697 . . . . 0.0 111.321 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -120.79 -173.82 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.163 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -22.67 65.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.6 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.91 71.7 1.46 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -60.27 -31.82 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' C' ' 27' ' ' ASN . 0.5 OUTLIER -64.01 -32.9 74.62 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.986 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' C' ' 26' ' ' GLN . 86.6 m-20 -66.39 -41.29 89.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.409 -0.517 . . . . 0.0 109.713 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 13.2 mt -64.36 -46.85 81.62 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.83 -36.7 77.36 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.896 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . 0.46 HD21 HD21 ' C' ' 34' ' ' ASN . 7.6 t-20 -65.13 -43.28 92.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.338 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' D' ' 19' ' ' GLU . 8.3 mp -66.14 -44.5 84.0 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.425 ' HB2' HD21 ' B' ' 30' ' ' ASN . 40.2 m-85 -61.12 -45.09 96.09 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.712 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.93 -43.84 96.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . 0.46 HD21 HD21 ' C' ' 30' ' ' ASN . 95.7 m-20 -62.39 -46.88 86.61 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.045 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.14 -43.7 98.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.562 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' B' ' 37' ' ' LEU . 91.9 m -63.49 -41.73 98.55 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.259 -0.576 . . . . 0.0 109.762 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' D' ' 36' ' ' CYS . 28.7 mt -63.46 -39.27 94.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.92 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -43.15 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.82 -38.77 92.04 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.53 -42.52 96.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 96.4 m -62.33 -39.81 94.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.943 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.12 -41.59 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.713 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 60.2 mt -63.02 -43.43 98.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.1 -37.17 86.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.845 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.6 -41.35 87.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -60.62 -36.74 79.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.56 -43.3 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.69 -42.75 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.469 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.98 -45.0 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.085 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.8 -40.41 96.58 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.18 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.1 mt -64.37 -38.8 92.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' C' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.037 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.0 ttp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.28 3.32 28.08 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.87 -38.94 92.96 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.912 0.863 . . . . 0.0 108.68 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.494 ' O ' HG23 ' D' ' 8' ' ' THR . 4.1 m -60.83 -26.04 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.2 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.17 -36.05 83.0 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.751 -0.78 . . . . 0.0 109.196 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.66 -40.78 76.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.771 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.436 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.9 mp -63.85 -42.72 97.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.838 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . 0.494 HG23 ' O ' ' D' ' 4' ' ' VAL . 76.4 p -69.06 -36.68 77.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.539 ' HA ' HD12 ' D' ' 12' ' ' ILE . 77.9 ttt180 -64.98 -42.18 94.78 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.566 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -68.61 -30.63 69.41 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.741 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.3 95.21 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' D' ' 9' ' ' ARG . 23.6 mt -64.57 -42.0 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.026 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.406 HH21 ' NE ' ' D' ' 9' ' ' ARG . 95.9 mtt-85 -61.04 -38.69 87.03 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.448 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -63.67 -39.63 94.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -9.19 58.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.38 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.79 -22.0 23.49 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.403 HG23 ' O ' ' D' ' 13' ' ' ARG . 1.2 p -82.7 -32.02 28.24 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.108 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 45.8 pt -68.9 -12.05 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' C' ' 31' ' ' LEU . 12.0 pt-20 -138.31 20.76 2.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.26 124.54 0.72 Allowed Pre-proline 0 CA--C 1.533 0.325 0 O-C-N 124.12 0.888 . . . . 0.0 111.654 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -75.88 110.59 3.11 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 121.916 1.744 . . . . 0.0 111.354 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -120.59 -174.11 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.086 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -67.25 -22.58 65.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.637 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.9 71.49 1.46 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -60.07 -32.19 70.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' D' ' 27' ' ' ASN . 0.6 OUTLIER -63.7 -32.79 74.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.026 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' D' ' 26' ' ' GLN . 86.5 m-20 -66.28 -41.31 90.02 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 121.227 0.537 . . . . 0.0 109.784 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 13.4 mt -64.39 -47.08 80.56 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -59.71 -36.96 77.6 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.81 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . 0.451 HD21 HD21 ' D' ' 34' ' ' ASN . 7.7 t-20 -64.79 -43.33 93.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.416 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' E' ' 19' ' ' GLU . 8.4 mp -66.21 -44.38 84.04 Favored 'General case' 0 C--O 1.219 -0.521 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.441 ' HB2' HD21 ' C' ' 30' ' ' ASN . 40.6 m-85 -61.19 -44.98 96.42 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.805 -0.758 . . . . 0.0 109.675 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.04 -43.88 95.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.704 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . 0.451 HD21 HD21 ' D' ' 30' ' ' ASN . 95.5 m-20 -62.32 -46.92 86.56 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.173 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -61.93 -43.99 97.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.467 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.477 ' HB2' HD13 ' C' ' 37' ' ' LEU . 92.1 m -63.34 -41.75 98.89 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.791 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' E' ' 36' ' ' CYS . 29.1 mt -63.39 -39.26 94.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.968 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -63.06 -43.33 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.72 -38.73 91.61 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.63 -42.64 96.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.26 -39.49 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.97 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.3 -41.64 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.99 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 29.3 mt -63.31 -37.08 85.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.56 -41.52 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -60.48 -36.59 78.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -63.73 -43.1 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.89 -42.72 96.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.455 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.84 -44.9 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.943 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.199 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.85 -40.49 96.68 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.199 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.31 -38.75 92.15 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' D' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.916 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 67.9 ttp . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.16 3.19 28.12 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.78 -38.97 93.1 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 121.961 0.886 . . . . 0.0 108.674 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.494 ' O ' HG23 ' E' ' 8' ' ' THR . 4.1 m -60.84 -25.96 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 CA-C-N 113.93 -1.487 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -65.14 -36.19 83.46 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.732 -0.787 . . . . 0.0 109.151 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -69.55 -40.64 76.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.765 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.8 mp -63.89 -42.68 97.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.494 HG23 ' O ' ' E' ' 4' ' ' VAL . 76.8 p -69.22 -36.72 77.52 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' E' ' 12' ' ' ILE . 77.9 ttt180 -64.75 -42.3 95.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.564 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 78.4 p -68.7 -30.5 69.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.762 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.83 -40.27 94.92 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' E' ' 9' ' ' ARG . 22.9 mt -64.54 -41.98 93.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.998 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.412 HH21 ' NE ' ' E' ' 9' ' ' ARG . 95.9 mtt-85 -60.93 -38.95 87.57 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.461 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.36 -39.99 96.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.69 -9.18 58.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -88.95 -21.63 23.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.402 HG23 ' O ' ' E' ' 13' ' ' ARG . 1.2 p -82.96 -32.0 27.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.067 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 pt -68.82 -12.47 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.991 0.424 . . . . 0.0 109.937 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . 0.424 ' HB3' HD11 ' D' ' 31' ' ' LEU . 12.1 pt-20 -137.92 20.92 2.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.239 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -36.42 124.72 0.74 Allowed Pre-proline 0 CA--C 1.535 0.381 0 O-C-N 124.073 0.858 . . . . 0.0 111.58 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.92 110.49 3.09 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 121.967 1.778 . . . . 0.0 111.375 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -120.41 -173.77 2.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.55 -22.59 65.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.691 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -133.81 71.52 1.46 Allowed 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.723 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -60.26 -31.77 70.54 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' E' ' 27' ' ' ASN . 0.5 OUTLIER -63.87 -33.11 74.95 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.073 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' E' ' 26' ' ' GLN . 86.2 m-20 -66.2 -41.53 90.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.433 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 13.2 mt -63.98 -47.19 81.34 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -59.62 -37.28 78.2 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.808 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . 0.468 HD21 HD21 ' E' ' 34' ' ' ASN . 7.7 t-20 -64.5 -43.48 93.99 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.384 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 19' ' ' GLU . 8.4 mp -66.11 -44.35 84.6 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.436 ' HB2' HD21 ' D' ' 30' ' ' ASN . 41.1 m-85 -61.05 -45.04 96.39 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.803 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -65.11 -43.83 95.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.697 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . 0.468 HD21 HD21 ' E' ' 30' ' ' ASN . 95.8 m-20 -62.29 -46.83 86.99 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.07 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -62.09 -43.83 97.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.464 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.469 ' HB2' HD13 ' D' ' 37' ' ' LEU . 85.0 m -63.41 -41.82 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.77 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 36' ' ' CYS . 29.8 mt -63.45 -39.15 93.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.069 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -63.23 -43.16 98.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -62.59 -42.57 96.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.2 -39.82 94.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.888 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.05 -41.69 99.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.784 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -63.05 -43.34 98.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.31 -36.78 84.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.8 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.87 -41.29 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 70.7 m -60.74 -36.53 79.12 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.55 -43.12 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.488 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -61.92 -44.95 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 114.803 -1.09 . . . . 0.0 110.167 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.2 mmm -63.78 -40.55 96.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.188 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.37 -38.73 92.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.922 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 4' ' ' VAL . 77.2 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -69.82 -15.89 63.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.229 0.538 . . . . 0.0 109.79 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.61 -36.78 79.43 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.647 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 1' ' ' MET . 4.5 m -58.53 -28.43 36.39 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.553 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.99 -37.74 84.76 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.857 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -62.35 -49.26 76.26 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.2 mp -60.93 -40.08 91.84 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.285 -179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 m -59.5 -49.97 75.71 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HA ' HD12 ' A' ' 12' ' ' ILE . 88.6 mtm180 -60.47 -42.23 95.79 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.36 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 p -63.63 -33.03 74.71 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.729 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.88 89.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.865 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 9' ' ' ARG . 9.1 mt -63.29 -43.56 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.749 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -64.54 -43.62 93.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.433 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -60.74 -44.82 96.19 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.71 70.46 0.45 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.11 -64.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.562 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 t -68.58 -31.83 71.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.403 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.85 -5.9 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.019 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 15.4 mt-10 -101.64 -16.21 16.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.723 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -57.94 -43.02 98.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.452 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 20' ' ' MET . 22.7 Cg_exo -58.49 152.28 55.89 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.267 1.978 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.806 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -85.44 16.38 3.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 19' ' ' GLU . . . -54.9 -42.65 72.43 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.729 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -51.18 -40.48 58.74 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.684 -0.406 . . . . 0.0 109.924 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.48 -42.89 70.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.001 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.53 -50.81 72.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.153 0.502 . . . . 0.0 110.361 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 11.8 mt -63.19 -39.86 95.86 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.786 -0.82 . . . . 2.05 108.786 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -57.36 -39.42 75.95 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.245 -1.343 . . . . 2.12 108.211 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -64.24 -41.25 97.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.997 -1.001 . . . . 2.53 110.455 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.35 -47.11 71.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.25 -0.58 . . . . 2.43 111.686 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -60.03 -42.58 94.7 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.442 -0.503 . . . . 2.53 111.323 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.452 HG22 HD12 ' A' ' 37' ' ' LEU . 86.2 mt -69.92 -44.01 79.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 CA-C-N 115.8 -0.636 . . . . 2.32 110.943 179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -62.71 -48.48 79.06 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.275 -0.57 . . . . 2.21 110.357 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -61.26 -42.0 97.88 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.834 -0.346 . . . . 2.46 110.319 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' CB ' HD13 ' E' ' 37' ' ' LEU . 2.8 m -64.91 -41.71 95.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.104 0.478 . . . . 2.45 110.766 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD12 HG22 ' A' ' 33' ' ' ILE . 34.5 mt -66.1 -38.97 89.53 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.514 -0.766 . . . . 2.21 109.735 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -62.81 -44.76 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 108.204 -1.036 . . . . 2.09 108.204 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.8 -41.93 87.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.271 -0.64 . . . . 2.3 109.271 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 37' ' ' LEU . 26.3 mt -64.15 -43.47 97.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.653 -0.499 . . . . 2.38 109.653 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.93 -47.83 84.18 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.485 -0.931 . . . . 2.4 108.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -60.66 -43.13 97.98 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.98 -0.378 . . . . 2.23 109.98 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' E' ' 44' ' ' LEU . 17.0 mt -58.88 -43.06 90.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.305 -0.628 . . . . 2.26 109.305 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' B' ' 43' ' ' LEU . 61.6 mt -64.31 -40.65 96.36 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.746 -0.661 . . . . 2.37 109.607 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.05 -45.71 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 109.18 -0.674 . . . . 2.43 109.18 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -60.93 -37.92 83.97 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.61 -0.723 . . . . 2.46 110.064 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.45 -39.79 83.26 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.515 -0.766 . . . . 2.25 110.463 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.555 HG23 ' SD ' ' B' ' 50' ' ' MET . 66.4 mt -66.25 -43.12 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.703 0.763 . . . . 2.4 108.984 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.0 t -64.14 -44.95 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.213 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.494 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.551 ' SD ' HG23 ' E' ' 48' ' ' ILE . 34.1 mtt -63.69 -43.58 96.22 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.863 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.45 -38.95 78.01 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.256 0.551 . . . . 0.0 109.842 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.218 -0.59 0 CA-C-N 114.623 -1.171 . . . . 0.0 110.625 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.575 ' O ' HG22 ' B' ' 4' ' ' VAL . 77.3 mtm . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.26 -15.76 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.657 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.93 -36.21 78.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.923 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.575 HG22 ' O ' ' B' ' 1' ' ' MET . 4.4 m -59.07 -28.35 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.36 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -66.69 -37.59 85.05 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.686 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -63.39 -46.24 87.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.794 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.484 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.1 mp -63.0 -40.63 98.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.101 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 74.7 m -60.79 -44.59 96.63 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.456 ' HA ' HD12 ' B' ' 12' ' ' ILE . 88.3 mtm180 -65.3 -41.99 93.54 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.969 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 60.5 p -63.78 -33.34 75.46 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.04 -38.29 88.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.862 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' B' ' 9' ' ' ARG . 9.2 mt -63.66 -43.74 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.753 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.08 -42.67 96.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.112 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.3 71.34 0.32 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 119.696 -0.802 . . . . 0.0 112.755 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.9 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.163 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -68.67 -32.01 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.579 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.54 -6.27 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.056 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.598 ' HA ' ' HB1' ' B' ' 24' ' ' ALA . 15.4 mt-10 -101.13 -16.68 16.97 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.703 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.476 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 0.0 OUTLIER -57.76 -42.93 98.02 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.577 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' B' ' 20' ' ' MET . 22.7 Cg_exo -58.6 152.36 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.13 1.887 . . . . 0.0 112.211 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.73 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.44 16.78 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.151 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' B' ' 19' ' ' GLU . . . -55.26 -42.87 74.06 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -51.03 -40.43 58.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.826 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.53 -42.93 70.57 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.89 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.82 -46.69 89.54 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.903 0.382 . . . . 0.0 111.353 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.68 -39.45 88.13 Favored 'General case' 0 CA--C 1.493 -1.227 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.97 -37.95 75.14 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.981 -1.463 . . . . 0.0 108.649 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -64.79 -43.02 94.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.71 -45.65 81.96 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.49 -47.14 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.072 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.43 HG22 HD12 ' B' ' 37' ' ' LEU . 90.5 mt -65.91 -44.36 92.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.723 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -63.12 -46.76 85.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.793 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.59 -41.47 98.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.967 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.433 ' CB ' HD13 ' A' ' 37' ' ' LEU . 3.5 m -64.94 -43.99 90.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.601 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' B' ' 40' ' ' ILE . 37.8 mt -64.08 -39.2 93.55 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.987 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.22 -42.52 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.825 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.0 -41.15 95.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' B' ' 37' ' ' LEU . 26.8 mt -64.39 -43.43 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.933 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.4 m -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.43 -41.05 98.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.892 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 44' ' ' LEU . 15.5 mt -61.24 -43.13 99.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.459 ' HB2' HD13 ' C' ' 43' ' ' LEU . 61.6 mt -63.84 -40.98 97.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.54 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.2 -44.15 99.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -62.51 -37.98 88.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.831 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.403 HG22 HD12 ' B' ' 51' ' ' LEU . 12.7 mt -66.27 -42.52 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.165 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.542 HG23 ' SD ' ' C' ' 50' ' ' MET . 67.7 mt -64.16 -42.27 95.02 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 CA-C-O 121.529 0.68 . . . . 0.0 109.535 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 43.1 t -65.15 -44.29 95.46 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.593 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.555 ' SD ' HG23 ' A' ' 48' ' ' ILE . 34.9 mtt -64.23 -43.35 95.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.758 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.403 HD12 HG22 ' B' ' 47' ' ' ILE . 8.5 mt -69.75 -39.32 76.81 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.255 0.55 . . . . 0.0 109.627 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.217 -0.61 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.613 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.575 ' O ' HG22 ' C' ' 4' ' ' VAL . 77.3 mtm . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -70.2 -16.04 63.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.241 0.543 . . . . 0.0 109.802 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.79 -36.4 78.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.575 HG22 ' O ' ' C' ' 1' ' ' MET . 4.5 m -58.86 -28.26 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.377 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.409 HE21 ' NH2' ' C' ' 9' ' ' ARG . 1.9 pt20 -66.8 -37.33 84.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -63.63 -46.25 86.55 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.242 0.544 . . . . 0.0 109.717 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.497 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.2 mp -63.13 -40.16 96.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.24 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 74.2 m -61.18 -44.33 97.47 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.471 ' HA ' HD12 ' C' ' 12' ' ' ILE . 88.3 mtm180 -65.5 -41.87 92.74 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -63.89 -33.36 75.52 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.06 87.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.891 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' C' ' 9' ' ' ARG . 9.4 mt -63.87 -43.53 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.882 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.85 -39.82 91.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -64.17 -42.53 96.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.999 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.48 70.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.747 -0.781 . . . . 0.0 112.894 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.87 -64.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.147 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.8 t -68.73 -31.93 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.349 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 pt -77.49 -6.23 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.597 ' HA ' ' HB1' ' C' ' 24' ' ' ALA . 15.6 mt-10 -101.25 -16.52 16.95 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.731 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.465 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 0.0 OUTLIER -57.72 -43.09 98.5 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 114.807 -1.088 . . . . 0.0 112.52 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' C' ' 20' ' ' MET . 23.0 Cg_exo -58.31 152.37 53.93 Favored 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.141 1.894 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.89 -40.68 91.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.908 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -85.38 17.11 3.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.137 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' C' ' 19' ' ' GLU . . . -55.46 -42.47 74.35 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.72 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -51.29 -40.65 59.42 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.482 -0.487 . . . . 0.0 109.83 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -70.48 -42.57 71.22 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.921 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.8 -46.85 88.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.183 0.516 . . . . 0.0 111.518 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.81 -39.51 87.74 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -57.87 -37.81 74.6 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.658 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -65.1 -43.07 93.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.58 -45.64 82.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.47 -47.43 86.15 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.289 -0.564 . . . . 0.0 109.998 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.454 HG22 HD12 ' C' ' 37' ' ' LEU . 92.3 mt -65.83 -44.23 92.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.729 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -63.07 -46.72 86.14 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.61 -41.58 99.08 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.979 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.428 ' CB ' HD13 ' B' ' 37' ' ' LEU . 3.6 m -64.85 -43.87 91.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.164 0.507 . . . . 0.0 110.545 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.454 HD12 HG22 ' C' ' 33' ' ' ILE . 36.6 mt -64.19 -39.26 93.62 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.15 -42.57 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.93 -41.34 96.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' C' ' 37' ' ' LEU . 26.9 mt -64.38 -43.24 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.539 -0.464 . . . . 0.0 109.798 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.53 -44.79 96.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.09 -40.89 98.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.956 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' B' ' 44' ' ' LEU . 15.6 mt -61.46 -43.1 99.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.454 ' HB2' HD13 ' D' ' 43' ' ' LEU . 62.5 mt -63.94 -40.83 97.33 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.521 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.38 -44.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.3 m -62.8 -37.74 87.9 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.785 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mt -66.39 -42.39 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.172 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.544 HG23 ' SD ' ' D' ' 50' ' ' MET . 67.8 mt -64.23 -42.3 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 CA-C-O 121.534 0.683 . . . . 0.0 109.524 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.17 -44.08 95.43 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.642 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.542 ' SD ' HG23 ' B' ' 48' ' ' ILE . 34.2 mtt -64.45 -43.43 94.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.69 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.51 -39.87 77.31 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.659 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.481 -179.659 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.57 ' O ' HG22 ' D' ' 4' ' ' VAL . 77.2 mtm . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -70.07 -16.21 63.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.701 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.59 -36.39 78.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.57 HG22 ' O ' ' D' ' 1' ' ' MET . 4.4 m -58.94 -27.91 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.442 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . 0.403 HE21 ' NH2' ' D' ' 9' ' ' ARG . 1.9 pt20 -66.98 -37.44 84.23 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.853 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -63.39 -46.38 86.71 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.772 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.493 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.2 mp -63.04 -40.33 97.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.19 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 75.4 m -60.98 -44.28 97.58 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' D' ' 12' ' ' ILE . 88.4 mtm180 -65.55 -41.9 92.49 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.864 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.9 p -63.88 -33.54 75.92 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.31 -0.556 . . . . 0.0 109.568 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.19 88.12 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' D' ' 9' ' ' ARG . 9.4 mt -63.83 -43.92 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.731 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.41 -40.14 93.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.977 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -63.84 -42.82 97.53 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.248 -0.887 . . . . 0.0 113.134 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.24 70.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.738 -0.785 . . . . 0.0 112.835 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.69 -64.1 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.7 t -68.94 -31.83 71.0 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.401 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 pt -77.63 -6.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.994 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . 0.585 ' HA ' ' HB1' ' D' ' 24' ' ' ALA . 15.6 mt-10 -101.46 -16.15 16.93 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.716 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 0.0 OUTLIER -58.09 -43.04 98.05 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 114.724 -1.126 . . . . 0.0 112.353 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' D' ' 20' ' ' MET . 22.7 Cg_exo -58.42 152.19 56.0 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.15 1.9 . . . . 0.0 112.368 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.69 -40.67 92.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.901 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -85.55 16.94 3.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.027 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.585 ' HB1' ' HA ' ' D' ' 19' ' ' GLU . . . -55.31 -42.48 73.78 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.654 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -51.3 -40.47 59.07 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.588 -0.445 . . . . 0.0 109.9 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -70.73 -42.51 70.44 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.981 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.87 -46.66 89.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.054 0.454 . . . . 0.0 111.492 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.07 -39.54 86.86 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -57.67 -37.74 73.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.931 -1.486 . . . . 0.0 108.631 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.07 -43.22 92.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -65.43 -45.64 83.04 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.54 -47.32 86.71 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.136 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.451 HG22 HD12 ' D' ' 37' ' ' LEU . 90.7 mt -65.82 -44.41 92.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.638 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -62.94 -46.77 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.57 -41.69 99.09 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.962 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.426 ' CB ' HD13 ' C' ' 37' ' ' LEU . 4.1 m -64.75 -43.82 92.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.451 HD12 HG22 ' D' ' 33' ' ' ILE . 36.9 mt -64.29 -39.29 93.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.917 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mm -63.22 -42.45 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.01 -41.29 96.26 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' D' ' 37' ' ' LEU . 26.6 mt -64.34 -43.34 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.462 -0.495 . . . . 0.0 109.804 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 87.8 m -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.15 -40.96 99.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.953 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.454 HD13 ' HB2' ' C' ' 44' ' ' LEU . 15.5 mt -61.44 -42.98 99.6 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.469 ' HB2' HD13 ' E' ' 43' ' ' LEU . 62.4 mt -64.0 -40.93 97.47 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.515 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.25 -44.01 99.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.612 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 98.6 m -62.83 -37.67 87.69 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.704 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.59 -42.37 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.541 HG23 ' SD ' ' E' ' 50' ' ' MET . 67.8 mt -64.13 -42.23 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.629 0 CA-C-O 121.487 0.66 . . . . 0.0 109.544 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.19 -44.27 95.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.672 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.544 ' SD ' HG23 ' C' ' 48' ' ' ILE . 35.4 mtt -64.18 -43.43 95.12 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.779 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.73 -39.68 76.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.676 -1.154 . . . . 0.0 110.48 -179.752 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.576 ' O ' HG22 ' E' ' 4' ' ' VAL . 77.4 mtm . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -70.18 -15.82 62.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.81 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.0 -36.25 79.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.924 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.576 HG22 ' O ' ' E' ' 1' ' ' MET . 4.5 m -58.91 -28.34 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.409 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.405 HE21 ' NH2' ' E' ' 9' ' ' ARG . 1.8 pt20 -66.47 -37.65 85.58 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 120.136 -0.626 . . . . 0.0 109.865 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -63.35 -46.41 86.73 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.237 0.541 . . . . 0.0 109.727 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.479 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.2 mp -63.02 -40.45 97.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.155 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 80.2 m -60.95 -44.52 97.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' E' ' 12' ' ' ILE . 88.3 mtm180 -65.39 -41.79 93.33 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.849 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 58.4 p -64.02 -33.27 75.36 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.692 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.25 88.09 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.832 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' E' ' 9' ' ' ARG . 9.3 mt -63.91 -43.72 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.765 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.64 -39.98 92.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -63.89 -42.69 97.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.347 -0.842 . . . . 0.0 113.114 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.36 71.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 119.799 -0.76 . . . . 0.0 112.858 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.98 -64.07 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.292 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 12.6 t -69.18 -31.78 70.64 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.0 pt -77.62 -6.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.025 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . 0.595 ' HA ' ' HB1' ' E' ' 24' ' ' ALA . 15.5 mt-10 -101.2 -16.49 16.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.72 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.475 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 0.0 OUTLIER -57.98 -42.83 97.24 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.349 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' E' ' 20' ' ' MET . 22.7 Cg_exo -58.62 152.47 55.59 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 122.125 1.883 . . . . 0.0 112.315 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.91 -40.47 91.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.914 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.67 16.66 3.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.199 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' E' ' 19' ' ' GLU . . . -55.02 -42.94 73.23 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.705 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -51.07 -40.54 58.6 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.596 -0.442 . . . . 0.0 109.822 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -70.41 -42.7 71.3 Favored 'General case' 0 C--O 1.218 -0.584 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.067 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -60.74 -46.86 88.8 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.969 0.414 . . . . 0.0 111.413 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 mt -66.71 -39.62 88.1 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -57.85 -38.05 74.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.915 -1.493 . . . . 0.0 108.551 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.71 -43.14 94.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.894 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.56 -45.88 81.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -60.42 -47.26 86.85 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.145 -0.622 . . . . 0.0 110.04 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.44 HG22 HD12 ' E' ' 37' ' ' LEU . 91.8 mt -65.84 -44.33 92.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.794 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -63.05 -46.62 86.65 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.767 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.75 -41.44 99.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.045 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.429 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.6 m -64.85 -44.05 91.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.44 HD12 HG22 ' E' ' 33' ' ' ILE . 38.2 mt -64.21 -39.05 93.18 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.29 -42.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.83 -41.27 95.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.7 mt -64.49 -43.3 96.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.602 -0.439 . . . . 0.0 109.944 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -61.35 -44.63 96.85 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.3 -41.18 98.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.91 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.469 HD13 ' HB2' ' D' ' 44' ' ' LEU . 15.6 mt -61.24 -42.94 99.49 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 43' ' ' LEU . 61.2 mt -64.11 -41.02 97.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.418 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 4.4 mm -63.11 -44.12 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.74 -37.78 87.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.819 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.3 -42.37 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.144 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.551 HG23 ' SD ' ' A' ' 50' ' ' MET . 68.4 mt -64.38 -42.08 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-O 121.468 0.652 . . . . 0.0 109.435 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.35 -43.96 94.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.664 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.541 ' SD ' HG23 ' D' ' 48' ' ' ILE . 34.7 mtt -64.38 -43.57 94.07 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.669 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -69.57 -39.51 77.33 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 109.695 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--O 1.216 -0.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.557 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' O ' HG12 ' A' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -85.88 -6.0 59.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.619 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 99.1 mttt -65.23 -42.78 93.05 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 121.858 0.837 . . . . 0.0 110.206 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 1' ' ' MET . 8.5 p -61.92 -26.86 41.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.559 -1.2 . . . . 0.0 110.756 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -35.25 80.34 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.455 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.483 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 14.1 m-85 -68.03 -43.14 79.44 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.4 mp -62.44 -44.77 95.61 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -59.44 -42.26 91.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.768 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.704 ' HA ' HD12 ' A' ' 12' ' ' ILE . 79.4 ttt180 -62.69 -42.92 99.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.09 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -63.41 -33.77 76.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.81 -38.88 90.12 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.1 mt -63.74 -41.92 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.936 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.55 -43.22 89.22 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -65.12 -39.63 93.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.605 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 18' ' ' ILE . . . -58.34 -36.14 72.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.753 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -61.75 -42.3 98.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.51 -30.98 59.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.782 0.801 . . . . 0.0 109.127 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -70.17 -23.47 25.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.986 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -118.13 20.94 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.869 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.65 107.82 0.47 Allowed Pre-proline 0 CA--C 1.532 0.262 0 O-C-N 124.249 0.968 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.22 -161.39 0.14 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.843 2.362 . . . . 0.0 112.189 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' A' ' 28' ' ' LEU . 89.2 mt-30 -77.61 64.22 2.87 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.9 0.381 . . . . 0.0 110.593 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.98 -39.25 93.2 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.696 ' HB3' HH12 ' B' ' 25' ' ' ARG . . . -178.64 163.79 1.53 Allowed 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.388 -1.278 . . . . 0.0 107.561 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.706 HH12 ' HB3' ' E' ' 24' ' ' ALA . 57.9 mtm180 -57.14 -32.35 66.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.343 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -64.58 -41.42 96.28 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -63.04 -46.68 86.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.324 0.583 . . . . 0.0 109.735 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 22' ' ' GLN . 21.7 mt -64.26 -41.98 96.69 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 108.767 -0.827 . . . . 2.19 108.767 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -57.64 -41.61 81.75 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 113.644 -1.616 . . . . 2.23 108.006 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.37 -42.98 99.84 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.066 -0.97 . . . . 2.36 110.255 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.27 -45.08 81.73 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.244 -0.582 . . . . 2.34 111.22 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.83 -43.93 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.415 -0.514 . . . . 2.48 111.243 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.56 -44.5 82.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.189 -0.46 . . . . 2.37 111.359 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -63.0 -48.17 79.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.193 -0.603 . . . . 2.33 110.224 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.89 -42.4 99.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.957 -0.297 . . . . 2.39 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.586 ' CB ' HD13 ' E' ' 37' ' ' LEU . 14.4 m -62.84 -41.91 99.53 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.29 -0.564 . . . . 2.32 109.92 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.587 HD13 ' CB ' ' B' ' 36' ' ' CYS . 23.3 mt -64.31 -39.23 93.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.542 -0.754 . . . . 2.19 109.604 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.31 -44.83 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.539 -0.911 . . . . 2.22 108.539 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.47 -42.41 96.17 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.652 -0.419 . . . . 2.31 110.369 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.553 HD11 ' SG ' ' E' ' 41' ' ' CYS . 35.8 mm -63.49 -42.61 96.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.298 -0.631 . . . . 2.3 109.298 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' HD11 ' B' ' 40' ' ' ILE . 83.1 m -59.26 -45.13 92.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.918 -0.771 . . . . 2.35 108.918 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.05 -43.09 99.58 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.289 -0.414 . . . . 2.23 110.493 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.6 mt -61.0 -43.26 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.696 -0.402 . . . . 2.25 110.547 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 44' ' ' LEU . 80.6 mt -64.05 -40.02 95.36 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.506 -0.478 . . . . 2.41 109.837 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.3 mt -64.05 -43.58 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 108.996 -0.742 . . . . 2.38 108.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 93.4 m -63.36 -34.9 78.72 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 115.859 -0.61 . . . . 2.33 110.15 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.1 mt -66.46 -39.47 84.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.478 0.656 . . . . 2.28 110.2 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.43 -41.64 89.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.909 -1.041 . . . . 2.24 109.646 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.98 -48.17 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.054 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.427 ' HB3' HD13 ' E' ' 52' ' ' LEU . 82.4 mmm -62.35 -47.78 82.71 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.129 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.35 -39.24 78.24 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.273 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.221 -0.429 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.619 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.494 ' O ' HG12 ' B' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -86.09 -5.52 59.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 99.0 mttt -65.57 -42.69 91.49 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.716 0.77 . . . . 0.0 110.12 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.494 HG12 ' O ' ' B' ' 1' ' ' MET . 8.6 p -61.98 -26.56 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.933 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -35.68 81.54 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 13.9 m-85 -67.52 -43.54 80.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.444 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.5 mp -62.94 -42.59 99.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.317 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 82.5 m -61.54 -41.7 97.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.713 ' HA ' HD12 ' B' ' 12' ' ' ILE . 79.7 ttt180 -62.86 -43.08 99.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.95 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -63.25 -33.7 76.06 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.387 0.613 . . . . 0.0 109.438 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.88 -38.12 87.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.369 -0.832 . . . . 0.0 108.873 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.2 mt -64.53 -41.65 92.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.018 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -58.74 -43.12 90.17 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -65.16 -39.49 93.04 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.711 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.59 -36.34 73.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.633 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 38.4 t -61.42 -42.39 98.67 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.634 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.38 -30.99 60.33 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.845 0.831 . . . . 0.0 109.228 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.17 -23.85 25.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 CA-C-N 114.249 -1.342 . . . . 0.0 109.954 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -117.8 20.96 13.18 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.981 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.64 107.8 0.46 Allowed Pre-proline 0 N--CA 1.468 0.44 0 O-C-N 124.391 1.057 . . . . 0.0 111.059 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.27 -161.63 0.15 Allowed 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 122.911 2.407 . . . . 0.0 112.083 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.658 ' HA ' HD21 ' B' ' 28' ' ' LEU . 89.2 mt-30 -77.5 64.02 2.75 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.876 0.369 . . . . 0.0 110.652 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.74 -39.08 93.04 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.699 ' HB3' HH12 ' C' ' 25' ' ' ARG . . . -178.77 163.95 1.49 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.696 HH12 ' HB3' ' A' ' 24' ' ' ALA . 58.0 mtm180 -57.48 -32.14 66.68 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.361 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -64.16 -41.79 97.0 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -63.39 -44.62 94.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.339 0.59 . . . . 0.0 110.49 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' B' ' 22' ' ' GLN . 25.1 mt -65.97 -42.27 90.12 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.06 -38.43 76.3 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 113.673 -1.603 . . . . 0.0 108.75 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -64.52 -44.09 91.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.478 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.75 -43.76 87.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.859 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 28' ' ' LEU . 15.5 m-85 -61.11 -47.52 85.88 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.386 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.75 -44.52 93.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.67 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.57 -47.48 81.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.303 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -63.22 -42.28 99.24 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.162 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.587 ' CB ' HD13 ' A' ' 37' ' ' LEU . 14.4 m -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.324 -0.551 . . . . 0.0 109.628 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.593 HD13 ' CB ' ' C' ' 36' ' ' CYS . 22.7 mt -62.56 -39.58 94.1 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.884 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.2 -43.44 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.62 -42.19 98.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.053 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.542 HD11 ' SG ' ' A' ' 41' ' ' CYS . 36.1 mm -63.83 -42.91 97.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.566 ' SG ' HD11 ' C' ' 40' ' ' ILE . 80.2 m -59.76 -43.77 94.14 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.85 -41.72 99.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.372 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.8 -43.13 99.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.405 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 44' ' ' LEU . 81.2 mt -63.81 -40.87 97.67 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.4 -43.51 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 92.7 m -63.33 -35.5 80.58 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.898 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.7 mt -65.44 -42.19 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.78 -42.54 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.82 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -68.53 -46.38 80.3 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.791 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 81.4 mmm -63.37 -48.07 79.46 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.795 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -69.6 -39.52 77.21 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.345 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.599 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.494 ' O ' HG12 ' C' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' C' ' 2' ' ' GLU . 0.0 OUTLIER -86.08 -5.92 59.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.659 179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.481 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 99.0 mttt -65.42 -42.66 92.24 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.547 0.689 . . . . 0.0 110.233 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.494 HG12 ' O ' ' C' ' 1' ' ' MET . 8.6 p -62.01 -26.51 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.77 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -35.62 81.39 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 120.086 -0.645 . . . . 0.0 109.286 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 13.8 m-85 -67.84 -43.26 79.93 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.44 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.3 mp -62.91 -42.73 99.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.228 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 81.0 m -61.51 -41.7 97.7 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.704 ' HA ' HD12 ' C' ' 12' ' ' ILE . 79.6 ttt180 -62.77 -42.87 99.89 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.016 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -63.48 -33.82 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.398 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.89 -38.03 87.68 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.825 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.0 mt -64.63 -41.75 93.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.936 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -58.5 -43.07 88.93 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.23 -39.62 92.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.6 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . 0.4 ' HA ' ' HB ' ' C' ' 18' ' ' ILE . . . -58.47 -36.39 73.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.737 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -61.47 -42.21 98.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.435 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.32 -31.73 60.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.601 0.715 . . . . 0.0 109.071 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' C' ' 15' ' ' ALA . 0.6 OUTLIER -69.39 -24.09 27.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.153 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -117.55 20.98 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.989 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.66 107.71 0.46 Allowed Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 124.268 0.98 . . . . 0.0 111.077 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.27 -161.6 0.15 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.827 2.351 . . . . 0.0 112.042 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' C' ' 28' ' ' LEU . 89.1 mt-30 -77.42 63.92 2.68 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.925 0.393 . . . . 0.0 110.682 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.7 -39.15 93.17 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.709 ' HB3' HH12 ' D' ' 25' ' ' ARG . . . -178.6 163.82 1.55 Allowed 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.699 HH12 ' HB3' ' B' ' 24' ' ' ALA . 58.2 mtm180 -57.27 -32.12 66.29 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.443 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -64.43 -41.58 96.5 Favored 'General case' 0 C--O 1.22 -0.483 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.442 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.411 ' HB2' HH11 ' D' ' 25' ' ' ARG . 36.4 t30 -63.57 -44.47 93.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.319 0.581 . . . . 0.0 110.427 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' C' ' 22' ' ' GLN . 25.0 mt -66.0 -42.12 90.17 Favored 'General case' 0 CA--C 1.496 -1.098 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.21 -38.68 77.27 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.595 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -64.19 -44.41 92.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.451 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.46 -43.7 89.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.908 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.29 -47.53 85.57 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.244 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.78 -44.4 93.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.712 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -63.65 -47.26 82.03 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.408 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.53 -42.14 98.45 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.077 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.593 ' CB ' HD13 ' B' ' 37' ' ' LEU . 13.9 m -62.73 -43.88 97.67 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.623 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.584 HD13 ' CB ' ' D' ' 36' ' ' CYS . 22.8 mt -62.52 -39.49 93.74 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.895 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.3 -43.46 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.77 -41.96 98.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.064 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.566 HD11 ' SG ' ' B' ' 41' ' ' CYS . 36.4 mm -63.94 -42.67 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.56 ' SG ' HD11 ' D' ' 40' ' ' ILE . 80.7 m -59.87 -43.83 94.5 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.82 -41.62 99.39 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.541 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 mt -62.84 -43.16 99.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' C' ' 44' ' ' LEU . 80.8 mt -63.73 -40.87 97.81 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.5 -43.45 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.41 -35.4 80.29 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.856 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.45 -42.11 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -63.9 -42.55 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.806 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 49.9 t -68.48 -46.02 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.904 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.433 ' HB3' HD13 ' B' ' 52' ' ' LEU . 81.9 mmm -63.54 -48.19 78.53 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.742 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.72 -39.34 76.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.327 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.583 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.484 ' O ' HG12 ' D' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' D' ' 2' ' ' GLU . 0.0 OUTLIER -86.16 -5.92 59.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.6 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 99.1 mttt -65.44 -42.56 92.28 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.684 0.754 . . . . 0.0 110.322 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.484 HG12 ' O ' ' D' ' 1' ' ' MET . 8.6 p -62.04 -26.79 41.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.681 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -35.49 81.02 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 120.021 -0.672 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 14.0 m-85 -68.02 -42.96 79.85 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.437 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.4 mp -63.07 -42.63 99.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.279 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m -61.64 -41.55 97.66 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.686 ' HA ' HD12 ' D' ' 12' ' ' ILE . 79.6 ttt180 -62.92 -43.08 99.76 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.026 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -63.23 -33.66 75.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.525 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.11 87.61 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.7 mt -64.58 -41.77 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.915 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -58.42 -43.3 88.63 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.11 -39.32 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.624 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.38 74.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.43 -42.41 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.51 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.411 HG23 ' H ' ' D' ' 17' ' ' THR . 1.2 p -75.35 -31.43 60.55 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -23.96 26.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.104 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -117.72 21.08 13.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.865 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.61 107.94 0.47 Allowed Pre-proline 0 N--CA 1.467 0.375 0 O-C-N 124.281 0.988 . . . . 0.0 111.071 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.26 -161.28 0.14 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.728 2.285 . . . . 0.0 112.236 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.652 ' HA ' HD21 ' D' ' 28' ' ' LEU . 89.2 mt-30 -77.84 64.06 3.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.0 0.428 . . . . 0.0 110.665 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.75 -39.22 93.26 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.707 ' HB3' HH12 ' E' ' 25' ' ' ARG . . . -178.56 163.88 1.57 Allowed 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.709 HH12 ' HB3' ' C' ' 24' ' ' ALA . 58.2 mtm180 -57.39 -31.93 66.31 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.489 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -64.52 -41.66 96.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.381 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.403 ' HB2' HH11 ' E' ' 25' ' ' ARG . 35.2 t30 -63.42 -44.39 94.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.284 0.564 . . . . 0.0 110.501 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.652 HD21 ' HA ' ' D' ' 22' ' ' GLN . 23.6 mt -66.07 -42.35 89.55 Favored 'General case' 0 CA--C 1.495 -1.159 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -58.2 -38.29 76.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.734 -1.576 . . . . 0.0 108.701 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.3 -44.35 91.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.493 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.55 -43.83 88.7 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.734 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -61.25 -47.53 85.62 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.369 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.2 mt -65.66 -44.52 93.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.707 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -63.66 -47.4 81.41 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.47 -42.05 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.08 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.584 ' CB ' HD13 ' C' ' 37' ' ' LEU . 13.4 m -62.58 -44.13 97.09 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.546 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.59 HD13 ' CB ' ' E' ' 36' ' ' CYS . 23.6 mt -62.49 -39.28 92.95 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.822 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mt -62.47 -43.57 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.972 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.56 HD11 ' SG ' ' C' ' 41' ' ' CYS . 36.1 mm -63.87 -42.86 97.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' E' ' 40' ' ' ILE . 83.0 m -59.72 -44.24 93.81 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 66.4 mt -62.54 -41.63 99.01 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 44.8 mt -62.74 -43.38 98.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.442 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' D' ' 44' ' ' LEU . 80.9 mt -63.83 -40.84 97.57 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.41 -43.42 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 90.9 m -63.48 -35.45 80.5 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.925 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.31 -42.24 93.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.73 -42.73 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.682 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.31 -46.22 81.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.963 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.431 ' HB3' HD13 ' C' ' 52' ' ' LEU . 81.6 mmm -63.46 -48.2 78.68 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.658 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -69.65 -39.2 77.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.387 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.56 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.467 ' O ' HG12 ' E' ' 4' ' ' VAL . 98.1 mtp . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' E' ' 2' ' ' GLU . 0.0 OUTLIER -85.93 -5.94 59.15 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.64 179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 99.1 mttt -65.49 -42.59 92.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.579 0.704 . . . . 0.0 110.262 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.467 HG12 ' O ' ' E' ' 1' ' ' MET . 8.7 p -62.04 -26.55 40.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.494 -1.23 . . . . 0.0 110.688 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.47 -35.66 81.58 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.382 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 14.0 m-85 -67.74 -43.4 80.04 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.443 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.4 mp -63.03 -42.58 99.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 82.3 m -61.6 -41.58 97.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.689 ' HA ' HD12 ' E' ' 12' ' ' ILE . 79.7 ttt180 -62.72 -42.92 99.89 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.083 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -63.7 -33.6 75.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.415 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.14 -37.92 86.87 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.7 mt -64.7 -41.68 92.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.81 -1.086 . . . . 0.0 108.946 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -58.62 -43.1 89.56 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -65.16 -39.16 92.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.675 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.26 74.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -61.59 -42.22 98.55 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 123.52 0.512 . . . . 0.0 110.611 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -75.4 -31.16 60.34 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 121.614 0.721 . . . . 0.0 109.056 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -23.85 25.84 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 114.384 -1.28 . . . . 0.0 110.101 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.86 21.01 13.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.776 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.69 107.78 0.47 Allowed Pre-proline 0 N--CA 1.466 0.361 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -78.24 -161.82 0.16 Allowed 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.987 2.458 . . . . 0.0 112.17 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.666 ' HA ' HD21 ' E' ' 28' ' ' LEU . 89.1 mt-30 -77.24 64.06 2.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.883 0.373 . . . . 0.0 110.67 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.93 -39.08 92.96 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.706 ' HB3' HH12 ' A' ' 25' ' ' ARG . . . -178.73 163.93 1.51 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.707 HH12 ' HB3' ' D' ' 24' ' ' ALA . 58.4 mtm180 -57.44 -32.07 66.55 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.4 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.42 -41.74 96.44 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.473 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.404 ' HB2' HH11 ' A' ' 25' ' ' ARG . 35.5 t30 -63.45 -44.19 95.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.284 0.564 . . . . 0.0 110.474 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.666 HD21 ' HA ' ' E' ' 22' ' ' GLN . 24.5 mt -66.35 -42.14 88.53 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.15 -38.66 77.02 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 113.561 -1.654 . . . . 0.0 108.623 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -64.22 -44.32 92.27 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.618 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.49 -43.89 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.665 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -60.98 -47.61 85.65 Favored 'General case' 0 CA--C 1.514 -0.413 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.411 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 89.9 mt -65.68 -44.56 93.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.747 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -63.55 -47.49 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.327 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -63.44 -41.9 98.66 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.184 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.59 ' CB ' HD13 ' D' ' 37' ' ' LEU . 12.6 m -62.85 -43.86 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.596 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.586 HD13 ' CB ' ' A' ' 36' ' ' CYS . 23.4 mt -62.4 -39.72 94.18 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.776 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.07 -43.46 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.63 -42.28 98.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.985 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.562 HD11 ' SG ' ' D' ' 41' ' ' CYS . 36.9 mm -63.8 -42.75 96.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.553 ' SG ' HD11 ' A' ' 40' ' ' ILE . 79.6 m -59.73 -44.0 93.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.71 -41.62 99.23 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.469 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 45.5 mt -62.87 -43.13 99.61 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.426 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' E' ' 44' ' ' LEU . 80.5 mt -63.73 -40.96 98.02 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.36 -43.25 98.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 89.0 m -63.68 -35.39 80.38 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.944 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.45 -42.34 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.7 -42.59 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.645 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -68.59 -46.05 80.64 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 114.66 -1.154 . . . . 0.0 111.893 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.442 ' HB3' HD13 ' D' ' 52' ' ' LEU . 81.4 mmm -63.62 -48.07 78.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.582 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.56 -39.45 77.39 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.475 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.22 -0.487 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.682 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.47 -51.82 5.51 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.51 -42.36 87.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.464 0.649 . . . . 0.0 110.67 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m -61.47 -26.27 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.242 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 1.0 OUTLIER -64.46 -39.84 94.57 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.051 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.431 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 73.4 m-85 -64.54 -40.4 95.52 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.909 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -63.35 -41.43 98.85 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 19.7 m -61.88 -42.95 99.68 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -63.07 -38.12 89.93 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.391 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -62.37 -30.32 71.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -68.21 -39.97 82.27 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.26 -42.64 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.876 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -60.09 -44.51 94.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.935 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.31 -42.48 88.22 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.659 0.742 . . . . 0.0 109.099 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' ' 18' ' ' ILE . . . -61.95 -30.44 70.91 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.784 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.52 -37.22 86.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.555 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.98 -40.84 62.69 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.94 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.504 ' HA ' HD21 ' A' ' 31' ' ' LEU . 40.1 pt -74.99 -12.88 15.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.406 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.7 -7.92 15.51 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.308 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.75 128.31 92.64 Favored Pre-proline 0 C--O 1.234 0.281 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.782 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.461 ' C ' ' H ' ' A' ' 23' ' ' GLN . 74.9 Cg_endo -77.24 -154.83 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.446 2.097 . . . . 0.0 111.384 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -74.15 23.18 0.08 Allowed 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.353 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' H ' ' C ' ' A' ' 21' ' ' PRO . 58.9 tt0 -59.35 -36.91 76.57 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.67 123.31 12.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -55.42 -31.53 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.868 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -61.1 -41.57 96.92 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.494 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -64.22 -44.72 91.03 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 22.6 mt -61.56 -43.69 98.4 Favored 'General case' 0 CA--C 1.497 -1.059 0 N-CA-C 108.552 -0.907 . . . . 1.96 108.552 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.449 HE22 ' NE2' ' E' ' 29' ' ' GLN . 56.5 tt0 -58.76 -39.46 81.04 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 113.501 -1.681 . . . . 2.15 109.07 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -64.35 -40.98 96.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.791 -1.095 . . . . 2.61 110.415 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' A' ' 18' ' ' ILE . 8.1 mp -69.91 -48.1 59.88 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 120.204 -0.598 . . . . 2.44 111.367 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -59.39 -42.48 91.82 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.607 -0.437 . . . . 2.51 111.912 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' A' ' 29' ' ' GLN . 79.2 mt -70.1 -44.73 77.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.738 -0.665 . . . . 2.33 110.793 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -62.41 -46.57 87.96 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 120.064 -0.654 . . . . 2.19 110.215 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.25 -43.26 99.24 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.908 -0.317 . . . . 2.46 110.209 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' CB ' HD13 ' E' ' 37' ' ' LEU . 10.9 m -63.68 -39.98 95.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.038 0.446 . . . . 2.53 110.193 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' CB ' ' B' ' 36' ' ' CYS . 32.0 mt -66.12 -37.97 87.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.228 -0.896 . . . . 2.09 109.886 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.34 -44.81 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 N-CA-C 108.588 -0.893 . . . . 2.03 108.588 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -58.23 -41.55 84.4 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.383 -0.599 . . . . 2.41 109.383 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 37' ' ' LEU . 25.9 mt -63.58 -43.56 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.919 -0.4 . . . . 2.34 109.919 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 93.7 m -61.12 -46.48 90.41 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.002 -0.74 . . . . 2.33 109.002 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.94 -42.42 98.16 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 109.558 -0.534 . . . . 2.3 109.558 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' E' ' 44' ' ' LEU . 10.3 mt -60.71 -42.17 96.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.255 -0.646 . . . . 2.2 109.255 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 ' HB2' HD13 ' B' ' 43' ' ' LEU . 14.0 mt -63.85 -40.6 96.95 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 109.888 -0.412 . . . . 2.38 109.888 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -64.74 -43.74 96.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.306 0.574 . . . . 2.53 109.569 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -65.36 -34.55 78.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.496 -0.775 . . . . 2.34 110.124 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.39 -40.89 90.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.204 -0.453 . . . . 2.34 109.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.74 -40.19 87.06 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 114.956 -1.02 . . . . 2.42 108.946 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.6 t -65.55 -44.05 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.6 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 39.1 mmm -65.33 -40.55 93.83 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.663 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.5 mt -64.46 -41.18 96.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.084 -0.96 . . . . 0.0 109.775 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.94 -51.56 5.55 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.558 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.84 -42.44 85.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.528 0.68 . . . . 0.0 110.522 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.51 -26.18 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.194 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 1.0 OUTLIER -64.54 -39.62 94.1 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 119.755 -0.778 . . . . 0.0 108.984 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.424 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 74.3 m-85 -64.58 -40.67 95.95 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.952 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.9 mp -63.06 -41.15 99.39 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 19.9 m -62.37 -42.9 99.78 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.87 -38.45 90.89 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.369 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -61.92 -30.76 71.11 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' B' ' 8' ' ' THR . . . -67.81 -40.22 83.89 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.91 -42.87 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.98 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -59.84 -44.47 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.942 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -66.0 -43.16 88.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.675 0.75 . . . . 0.0 109.029 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' B' ' 18' ' ' ILE . . . -61.41 -30.37 70.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.77 -37.26 87.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.38 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.71 -40.92 63.24 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.064 -0.654 . . . . 0.0 112.036 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.519 ' HA ' HD21 ' B' ' 31' ' ' LEU . 40.2 pt -75.2 -12.46 14.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.22 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.99 -7.95 15.29 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.185 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.6 127.9 91.99 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.847 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' B' ' 23' ' ' GLN . 71.5 Cg_endo -76.93 -154.89 0.05 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.645 2.23 . . . . 0.0 111.152 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -74.16 23.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.424 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' B' ' 21' ' ' PRO . 58.8 tt0 -58.59 -37.41 75.75 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.76 125.77 15.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.476 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.3 mtm-85 -58.31 -31.03 67.14 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.968 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -59.89 -42.5 93.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.338 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.5 -41.07 96.66 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.4 mt -64.13 -43.47 95.16 Favored 'General case' 0 CA--C 1.496 -1.116 0 CA-C-O 122.356 1.074 . . . . 0.0 108.276 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.444 ' NE2' HE22 ' C' ' 29' ' ' GLN . 56.2 tt0 -59.73 -38.17 80.95 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.039 -1.891 . . . . 0.0 109.265 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -63.95 -44.81 91.68 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.799 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' B' ' 18' ' ' ILE . 8.1 mp -67.19 -45.42 76.99 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.345 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.91 -47.07 88.11 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.292 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.36 -44.3 90.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.705 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -63.25 -46.28 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.091 -0.644 . . . . 0.0 110.423 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.03 -42.73 99.48 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.574 -0.45 . . . . 0.0 109.959 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.54 ' CB ' HD13 ' A' ' 37' ' ' LEU . 8.5 m -64.13 -41.88 97.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.047 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.549 HD13 ' CB ' ' C' ' 36' ' ' CYS . 32.7 mt -64.33 -38.58 91.56 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.37 -43.14 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 74.0 mt -59.98 -40.68 89.99 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.6 mt -63.87 -43.58 97.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.307 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.878 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.22 -41.34 99.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 44' ' ' LEU . 9.6 mt -62.2 -42.08 98.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.279 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.7 mt -63.62 -41.04 98.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.015 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 mm -64.26 -44.34 97.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -64.81 -34.3 78.03 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.043 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.06 -41.82 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.685 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.82 -44.5 98.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.69 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.3 mmm -64.16 -41.81 97.0 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.394 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.481 ' HB3' HD12 ' B' ' 52' ' ' LEU . 10.8 mt -64.5 -41.03 96.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' B' ' 51' ' ' LEU . 3.7 mp . . . . . 0 C--O 1.216 -0.689 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.14 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.56 -51.65 5.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.573 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.73 -42.58 86.04 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.631 0.729 . . . . 0.0 110.632 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.31 -26.26 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.252 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 1.0 OUTLIER -64.39 -39.38 93.76 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.149 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.428 ' N ' ' HG2' ' C' ' 5' ' ' GLN . 73.4 m-85 -64.8 -40.79 95.79 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.797 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.442 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.9 mp -62.99 -41.18 99.5 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' C' ' 11' ' ' ALA . 19.8 m -62.27 -42.93 99.77 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.39 -0.966 . . . . 0.0 108.39 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.06 -38.33 90.76 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.364 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -61.97 -30.61 71.04 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' C' ' 8' ' ' THR . . . -67.94 -40.52 83.27 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 39.2 mm -66.77 -42.69 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.962 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -60.04 -44.63 94.52 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.851 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -65.95 -43.1 88.98 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.675 0.75 . . . . 0.0 109.116 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . 0.45 ' HA ' HG12 ' C' ' 18' ' ' ILE . . . -61.53 -30.17 70.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.526 -1.215 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.75 -37.34 87.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.347 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.402 HG23 ' H ' ' C' ' 17' ' ' THR . 0.9 OUTLIER -73.71 -40.79 63.33 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.05 -0.66 . . . . 0.0 112.013 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.516 ' HA ' HD21 ' C' ' 31' ' ' LEU . 41.2 pt -75.16 -12.78 15.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.37 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.57 -8.0 15.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.276 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.76 128.17 92.47 Favored Pre-proline 0 N--CA 1.455 -0.199 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.825 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' C' ' 23' ' ' GLN . 73.1 Cg_endo -76.99 -154.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.741 2.294 . . . . 0.0 111.36 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -74.19 23.25 0.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.359 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' C' ' 21' ' ' PRO . 58.5 tt0 -58.68 -37.63 76.45 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.127 0.489 . . . . 0.0 109.696 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.35 125.91 15.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.398 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -58.57 -30.76 67.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.12 -42.35 94.6 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.365 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.62 -41.08 96.42 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -64.23 -43.78 93.88 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.459 ' NE2' HE22 ' D' ' 29' ' ' GLN . 56.1 tt0 -59.31 -38.27 79.86 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.184 -1.826 . . . . 0.0 109.316 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -64.05 -44.67 91.76 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.892 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.516 HD21 ' HA ' ' C' ' 18' ' ' ILE . 8.2 mp -67.21 -45.16 77.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.279 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.86 -47.48 86.16 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.836 -0.746 . . . . 0.0 110.376 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.411 HD12 ' HG2' ' C' ' 29' ' ' GLN . 84.5 mt -66.29 -44.32 91.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.79 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -63.06 -46.28 88.2 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.33 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -62.17 -42.8 99.61 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.992 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.549 ' CB ' HD13 ' B' ' 37' ' ' LEU . 9.0 m -64.09 -41.79 97.16 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.998 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.0 mt -64.31 -38.29 90.5 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.02 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 10.2 mt -62.55 -43.01 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.19 -40.8 91.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' C' ' 37' ' ' LEU . 25.3 mt -63.91 -43.66 97.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.116 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 92.2 m -62.04 -43.49 98.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.93 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' B' ' 44' ' ' LEU . 10.0 mt -62.09 -41.98 98.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.174 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.9 mt -63.64 -41.16 98.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.025 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.21 -44.24 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -64.88 -34.38 78.26 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.963 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mm -64.04 -43.39 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.24 -41.53 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.84 -44.47 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.597 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmm -64.31 -41.37 96.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.484 ' HB3' HD12 ' C' ' 52' ' ' LEU . 10.8 mt -64.6 -40.71 96.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' C' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.216 -0.667 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.983 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.67 -51.69 5.54 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.516 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -66.6 -42.53 86.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.5 0.667 . . . . 0.0 110.711 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.34 -26.36 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.168 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 1.0 OUTLIER -64.45 -39.25 93.46 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.145 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.421 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 73.5 m-85 -64.77 -40.72 95.75 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.867 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.44 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.8 mp -63.1 -41.36 99.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' D' ' 11' ' ' ALA . 19.6 m -62.16 -43.06 99.66 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.94 -38.39 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.467 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -62.0 -30.77 71.18 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.456 0.646 . . . . 0.0 109.275 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' D' ' 8' ' ' THR . . . -67.81 -40.32 83.88 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.4 mm -66.95 -42.96 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.984 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -59.71 -44.51 93.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.846 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -66.01 -43.01 88.91 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.099 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' D' ' 18' ' ' ILE . . . -61.61 -30.23 70.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.54 -37.61 88.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.44 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.447 ' H ' HG23 ' D' ' 17' ' ' THR . 0.9 OUTLIER -73.54 -40.97 63.57 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.083 -0.647 . . . . 0.0 112.095 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.506 ' HA ' HD21 ' D' ' 31' ' ' LEU . 40.5 pt -74.86 -12.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.231 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.7 -7.74 15.55 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.354 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.68 128.35 92.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.047 -0.661 . . . . 0.0 109.94 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' D' ' 23' ' ' GLN . 71.7 Cg_endo -77.12 -154.79 0.05 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.525 2.15 . . . . 0.0 111.426 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -74.37 23.64 0.09 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.182 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . 0.452 ' H ' ' C ' ' D' ' 21' ' ' PRO . 58.7 tt0 -59.11 -37.43 77.17 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.57 125.91 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.527 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -58.46 -31.19 67.57 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.981 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.86 -42.53 93.87 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -64.61 -40.65 95.88 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.599 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.4 -43.89 93.01 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.459 HE22 ' NE2' ' C' ' 29' ' ' GLN . 56.3 tt0 -59.13 -38.26 79.2 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 113.085 -1.871 . . . . 0.0 109.264 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.14 -44.76 91.17 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.637 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' D' ' 18' ' ' ILE . 8.1 mp -67.18 -45.45 76.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.33 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -60.76 -47.5 86.04 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.816 -0.754 . . . . 0.0 110.281 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' D' ' 29' ' ' GLN . 85.4 mt -65.98 -44.4 92.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.834 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.04 -46.34 88.02 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.33 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.73 -0.388 . . . . 0.0 109.97 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' C' ' 37' ' ' LEU . 8.9 m -64.2 -41.85 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.049 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.55 ' HA ' HD12 ' D' ' 40' ' ' ILE . 33.3 mt -64.3 -38.4 90.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.077 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mt -62.52 -42.99 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.24 -40.83 91.61 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' D' ' 37' ' ' LEU . 25.4 mt -63.79 -43.61 97.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.183 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.94 -43.61 98.49 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.954 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -63.32 -41.59 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' C' ' 44' ' ' LEU . 9.9 mt -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.238 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.455 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.8 mt -63.66 -41.1 98.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.902 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.2 mm -64.29 -44.52 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.34 -34.63 78.59 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.238 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -63.82 -43.69 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.77 -41.74 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.74 -44.4 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.674 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 38.7 mmm -64.45 -41.41 96.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.491 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.483 ' HB3' HD12 ' D' ' 52' ' ' LEU . 10.9 mt -64.57 -40.84 96.27 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' D' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.628 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.938 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -88.85 -51.56 5.57 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.558 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -66.64 -42.55 86.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.482 0.658 . . . . 0.0 110.644 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.48 -26.19 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.191 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.428 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 1.0 OUTLIER -64.49 -39.41 93.75 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.006 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.428 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 74.0 m-85 -64.83 -40.47 95.24 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.9 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.438 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.9 mp -63.27 -41.42 99.03 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' E' ' 11' ' ' ALA . 20.0 m -62.0 -43.28 99.17 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -62.62 -38.51 90.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.511 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 1.1 p -61.77 -30.8 71.03 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' E' ' 8' ' ' THR . . . -67.73 -40.64 84.16 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mm -66.87 -42.69 89.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.986 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -59.85 -44.67 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.843 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -65.92 -42.88 89.57 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.656 0.741 . . . . 0.0 109.236 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . 0.435 ' HA ' HG12 ' E' ' 18' ' ' ILE . . . -61.82 -30.24 70.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.824 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -64.55 -37.24 86.87 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.4 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -40.99 63.21 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.97 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.525 ' HA ' HD21 ' E' ' 31' ' ' LEU . 40.1 pt -75.07 -12.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.353 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -108.9 -8.49 15.26 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.304 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -63.16 127.94 91.65 Favored Pre-proline 0 C--N 1.33 -0.252 0 C-N-CA 119.964 -0.695 . . . . 0.0 109.947 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' E' ' 23' ' ' GLN . 71.5 Cg_endo -77.09 -154.83 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.602 2.201 . . . . 0.0 111.187 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -74.36 23.58 0.09 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.378 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' E' ' 21' ' ' PRO . 58.9 tt0 -59.01 -37.52 77.1 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.54 125.8 15.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.525 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -58.45 -30.84 67.25 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.026 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -60.04 -42.39 94.34 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.309 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -64.76 -40.87 96.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.14 0.495 . . . . 0.0 110.479 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 23.9 mt -64.25 -43.74 93.95 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.449 ' NE2' HE22 ' A' ' 29' ' ' GLN . 56.1 tt0 -59.23 -38.24 79.5 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.2 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -64.0 -44.84 91.43 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.877 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' E' ' 18' ' ' ILE . 8.1 mp -67.15 -45.23 77.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.33 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.12 -47.03 88.14 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.383 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.404 HD12 ' HG2' ' E' ' 29' ' ' GLN . 85.2 mt -66.44 -44.43 90.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.687 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.33 -46.01 88.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.418 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -62.16 -42.79 99.6 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.95 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.544 ' CB ' HD13 ' D' ' 37' ' ' LEU . 8.2 m -64.18 -41.95 96.9 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.983 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.538 ' HA ' HD12 ' E' ' 40' ' ' ILE . 32.8 mt -64.19 -38.44 91.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.069 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 10.3 mt -62.43 -42.9 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.5 mt -59.9 -40.85 90.18 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' E' ' 37' ' ' LEU . 26.0 mt -63.99 -43.68 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.243 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.8 m -62.0 -43.73 98.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.897 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.26 -41.4 99.04 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' D' ' 44' ' ' LEU . 9.9 mt -61.98 -42.13 98.8 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.293 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.462 ' HB2' HD13 ' A' ' 43' ' ' LEU . 14.0 mt -63.57 -41.17 98.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.977 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.08 -44.49 97.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.72 -34.24 77.86 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.092 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mm -64.14 -43.26 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.18 -41.75 93.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.066 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.96 -44.28 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.576 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 37.6 mmm -64.57 -41.32 96.36 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.55 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.478 ' HB3' HD12 ' E' ' 52' ' ' LEU . 10.8 mt -64.53 -41.05 96.61 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' E' ' 51' ' ' LEU . 3.8 mp . . . . . 0 C--O 1.217 -0.642 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.045 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.17 -27.27 67.14 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.401 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.45 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 98.8 mttt -110.88 -25.1 10.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.754 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.18 -24.84 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.508 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.35 -39.62 93.71 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.904 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 26.4 m-85 -67.83 -40.8 83.71 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.7 mp -61.92 -40.32 95.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.9 m -60.37 -48.39 81.96 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -58.69 -39.19 79.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.061 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' HB2' HH12 ' A' ' 14' ' ' ARG . 16.1 m -60.5 -34.13 73.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.33 89.72 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 16' ' ' SER . 32.2 mm -63.07 -42.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -63.54 -40.15 96.27 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.744 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' O ' HD11 ' A' ' 18' ' ' ILE . 82.9 mtt85 -59.18 -46.24 88.93 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -168.98 72.79 0.09 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 119.584 -0.846 . . . . 0.0 112.652 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.51 ' HB3' HG23 ' A' ' 12' ' ' ILE . 1.3 t -157.21 -27.15 0.09 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.502 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.2 t -128.46 -14.99 4.63 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.694 0.283 . . . . 0.0 111.35 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.629 HD12 HD23 ' A' ' 28' ' ' LEU . 20.4 pt -83.81 4.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.942 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.27 10.27 39.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.732 0.301 . . . . 0.0 110.771 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.563 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -59.82 152.43 58.79 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.578 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -75.5 21.03 0.48 Allowed 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.737 2.291 . . . . 0.0 112.755 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.58 -135.12 0.35 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -73.27 0.49 11.79 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 121.04 0.448 . . . . 0.0 110.052 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 20' ' ' MET . . . -59.53 -28.97 67.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.699 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -55.25 -35.67 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.528 0.68 . . . . 0.0 109.379 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -64.92 -36.4 84.24 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 114.759 -1.11 . . . . 0.0 109.733 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.13 -44.0 93.53 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD23 HD12 ' A' ' 18' ' ' ILE . 21.9 mt -59.44 -43.48 93.12 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-O 121.969 0.89 . . . . 1.88 108.874 -179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.453 ' HG2' HD12 ' A' ' 33' ' ' ILE . 56.7 tt0 -60.44 -38.51 84.38 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.451 -1.704 . . . . 2.56 108.612 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.2 -42.13 93.86 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.822 -1.081 . . . . 2.36 110.64 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.02 -49.34 70.59 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 119.838 -0.745 . . . . 2.3 111.893 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 7.4 t80 -57.8 -52.32 65.96 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.549 -0.86 . . . . 2.67 109.704 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.453 HD12 ' HG2' ' A' ' 29' ' ' GLN . 84.0 mt -61.93 -45.51 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.574 -0.45 . . . . 2.26 111.49 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -59.02 -52.15 66.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.041 -0.664 . . . . 2.27 109.827 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -57.52 -43.69 84.49 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.776 -0.369 . . . . 2.65 110.919 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.57 ' HB3' HD22 ' E' ' 37' ' ' LEU . 95.1 m -66.29 -36.51 83.14 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.291 -0.563 . . . . 2.12 111.175 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' B' ' 36' ' ' CYS . 24.4 mt -61.59 -42.04 98.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 2.04 109.397 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.9 mm -63.81 -43.79 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.989 0 N-CA-C 109.166 -0.679 . . . . 2.5 109.166 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.74 -41.74 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.531 -0.304 . . . . 2.35 110.869 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.13 -42.84 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.227 -0.657 . . . . 2.24 109.227 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.13 -43.02 99.52 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.774 -0.824 . . . . 2.31 108.774 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.85 -42.1 99.61 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.914 -0.402 . . . . 2.18 109.914 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.34 -43.17 92.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.146 -0.687 . . . . 2.36 109.146 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.21 -38.83 92.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 2.42 109.663 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.97 -42.77 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.271 -0.64 . . . . 2.24 109.271 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 88.9 m -60.99 -38.68 86.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.401 -0.592 . . . . 2.31 109.401 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -64.71 -41.52 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 CA-C-N 115.736 -0.665 . . . . 2.38 109.563 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.537 HG23 ' SD ' ' B' ' 50' ' ' MET . 78.8 mt -64.54 -44.12 96.84 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 CA-C-N 115.554 -0.748 . . . . 2.53 109.163 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.9 -44.49 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 114.801 -1.091 . . . . 0.0 109.547 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HG23 ' E' ' 48' ' ' ILE . 43.2 mtt -63.9 -39.01 93.19 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.09 -38.89 92.7 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.904 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.24 -27.33 67.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.443 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.453 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 98.8 mttt -111.26 -23.6 10.74 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.842 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.43 -24.97 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -62.08 -39.61 93.03 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.925 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 26.8 m-85 -67.93 -40.53 83.33 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.368 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.465 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.7 mp -62.12 -40.12 94.85 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -61.52 -44.59 96.78 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.73 -39.57 92.01 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.523 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.409 ' HB2' HH12 ' B' ' 14' ' ' ARG . 16.0 m -60.36 -34.38 73.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.734 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.07 89.23 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' B' ' 16' ' ' SER . 31.6 mm -63.1 -42.57 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -64.46 -37.25 86.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.269 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.425 ' O ' HD11 ' B' ' 18' ' ' ILE . 82.7 mtt85 -61.43 -45.9 92.38 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.78 73.69 0.08 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.718 -0.793 . . . . 0.0 112.339 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.509 ' HB3' HG23 ' B' ' 12' ' ' ILE . 1.3 t -158.05 -27.58 0.08 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.342 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -128.09 -15.17 4.8 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.712 0.291 . . . . 0.0 111.439 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.615 HD12 HD23 ' B' ' 28' ' ' LEU . 20.2 pt -83.6 4.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.11 10.15 39.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.763 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.545 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -59.62 152.31 57.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.647 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -75.41 20.9 0.48 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.795 2.33 . . . . 0.0 112.661 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.52 -135.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -73.44 0.68 11.61 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 121.152 0.501 . . . . 0.0 110.035 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' B' ' 20' ' ' MET . . . -60.5 -26.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.076 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -57.1 -35.6 69.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -63.32 -39.81 95.59 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 114.787 -1.097 . . . . 0.0 109.209 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -62.79 -39.34 93.93 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.551 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.615 HD23 HD12 ' B' ' 18' ' ' ILE . 24.9 mt -63.14 -43.44 98.36 Favored 'General case' 0 CA--C 1.497 -1.089 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.452 ' HG2' HD12 ' B' ' 33' ' ' ILE . 57.3 tt0 -60.47 -38.79 85.38 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 113.191 -1.822 . . . . 0.0 108.726 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -64.95 -43.02 94.05 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.551 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.5 -46.75 81.6 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.633 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.438 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 7.9 t80 -61.38 -48.98 78.8 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 119.732 -0.787 . . . . 0.0 110.331 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.452 HD12 ' HG2' ' B' ' 29' ' ' GLN . 81.8 mt -64.37 -44.29 97.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.465 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.03 -48.55 81.27 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.396 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.388 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.1 m -65.95 -37.48 86.12 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.203 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' C' ' 36' ' ' CYS . 24.7 mt -60.59 -41.99 95.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' B' ' 38' ' ' ILE . 29.9 mm -64.02 -43.34 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.55 -42.28 99.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.616 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.06 -42.95 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.81 -41.77 98.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.212 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.65 -40.42 96.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.077 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.32 -42.95 99.53 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.58 -38.77 92.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.592 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 mm -63.06 -42.62 97.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 82.5 m -61.21 -38.63 87.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mm -64.39 -42.77 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.517 HG23 ' SD ' ' C' ' 50' ' ' MET . 79.8 mt -63.8 -42.69 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.678 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.3 -44.45 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.974 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.308 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.537 ' SD ' HG23 ' A' ' 48' ' ' ILE . 43.6 mtt -63.8 -39.21 93.71 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.07 -38.78 92.29 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.66 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.959 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.26 -27.24 67.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.447 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 98.8 mttt -111.43 -23.53 10.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.735 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.33 -25.0 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.539 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.14 -39.7 93.47 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.949 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.447 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 26.5 m-85 -67.7 -40.56 84.32 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.387 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.464 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.7 mp -62.11 -40.13 94.85 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 98.3 m -61.54 -44.55 96.84 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.88 -39.31 91.48 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.621 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . 0.417 ' HB2' HH12 ' C' ' 14' ' ' ARG . 16.0 m -60.61 -34.24 73.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.741 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.07 89.28 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' C' ' 16' ' ' SER . 31.4 mm -63.07 -42.54 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.283 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -64.48 -37.14 86.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.42 ' O ' HD11 ' C' ' 18' ' ' ILE . 82.7 mtt85 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.96 73.77 0.07 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.301 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . 0.508 ' HB3' HG23 ' C' ' 12' ' ' ILE . 1.3 t -158.1 -27.64 0.08 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.372 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.3 t -128.02 -15.18 4.84 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.653 0.263 . . . . 0.0 111.357 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.605 HD12 HD23 ' C' ' 28' ' ' LEU . 20.6 pt -83.74 4.65 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.54 10.3 38.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.738 0.304 . . . . 0.0 110.815 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.549 ' O ' ' HB3' ' C' ' 24' ' ' ALA . 0.0 OUTLIER -59.76 152.37 58.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -75.28 20.79 0.47 Allowed 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.775 2.317 . . . . 0.0 112.716 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.42 -135.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -73.49 0.75 11.52 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.109 0.481 . . . . 0.0 109.964 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' C' ' 20' ' ' MET . . . -60.55 -26.91 67.26 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.037 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -57.1 -35.56 69.58 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.44 -39.76 95.34 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 114.735 -1.12 . . . . 0.0 109.144 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.605 HD23 HD12 ' C' ' 18' ' ' ILE . 25.9 mt -63.29 -43.4 97.97 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.466 ' HG2' HD12 ' C' ' 33' ' ' ILE . 57.0 tt0 -60.51 -38.58 84.82 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.182 -1.827 . . . . 0.0 108.786 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.07 -43.06 93.47 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.501 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.62 -46.71 81.43 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.862 -0.735 . . . . 0.0 112.61 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.441 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 7.9 t80 -61.29 -48.9 79.28 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.725 -0.79 . . . . 0.0 110.377 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.466 HD12 ' HG2' ' C' ' 29' ' ' GLN . 81.4 mt -64.46 -44.32 96.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.482 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -61.08 -48.51 81.35 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -61.0 -43.6 98.64 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.361 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.557 ' HB3' HD22 ' B' ' 37' ' ' LEU . 95.5 m -65.73 -37.55 86.71 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.244 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' D' ' 36' ' ' CYS . 24.9 mt -60.6 -42.0 95.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.02 -43.41 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.87 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.56 -42.19 99.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.615 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.09 -43.02 97.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 87.3 m -61.58 -41.89 98.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.159 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.59 -40.4 96.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.061 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.49 -42.87 99.45 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.657 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.97 -42.63 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.15 -38.81 87.75 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.19 -42.81 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.359 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.515 HG23 ' SD ' ' D' ' 50' ' ' MET . 80.3 mt -63.86 -42.54 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.687 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.37 -44.44 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-N 114.757 -1.11 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.517 ' SD ' HG23 ' B' ' 48' ' ' ILE . 43.3 mtt -63.93 -39.02 93.19 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 7.8 mt -64.15 -38.96 92.94 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.921 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -67.3 -27.29 67.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.452 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 98.8 mttt -111.31 -23.65 10.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.81 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -59.24 -24.96 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.11 -39.8 93.73 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.93 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 26.7 m-85 -67.68 -40.47 84.41 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.361 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.469 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.7 mp -62.21 -40.14 95.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -61.59 -44.6 96.7 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.85 -39.31 91.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.591 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . 0.41 ' HB2' HH12 ' D' ' 14' ' ' ARG . 16.1 m -60.52 -34.27 73.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.715 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.0 88.86 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.496 HG23 ' HB3' ' D' ' 16' ' ' SER . 31.4 mm -63.14 -42.6 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -64.49 -37.15 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.261 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.424 ' O ' HD11 ' D' ' 18' ' ' ILE . 82.7 mtt85 -61.41 -45.83 92.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.92 73.54 0.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.767 -0.773 . . . . 0.0 112.316 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.496 ' HB3' HG23 ' D' ' 12' ' ' ILE . 1.3 t -157.81 -27.73 0.08 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.335 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -127.91 -15.21 4.89 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.639 0.256 . . . . 0.0 111.294 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.623 HD12 HD23 ' D' ' 28' ' ' LEU . 20.6 pt -83.59 4.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.35 10.06 39.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 0.0 110.771 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.561 ' O ' ' HB3' ' D' ' 24' ' ' ALA . 0.0 OUTLIER -59.53 152.22 56.88 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -75.27 20.9 0.47 Allowed 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.828 2.352 . . . . 0.0 112.697 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -112.46 -134.98 0.35 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -73.53 0.69 11.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.055 0.455 . . . . 0.0 110.021 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' D' ' 20' ' ' MET . . . -60.33 -27.24 67.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -56.83 -35.8 69.23 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -63.28 -39.69 95.28 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.218 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.01 -39.24 94.15 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.529 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.623 HD23 HD12 ' D' ' 18' ' ' ILE . 25.3 mt -63.15 -43.46 98.26 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' D' ' 33' ' ' ILE . 57.1 tt0 -60.52 -38.77 85.49 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.127 -1.851 . . . . 0.0 108.666 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -65.04 -43.04 93.68 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.433 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.48 -46.75 81.7 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 119.853 -0.739 . . . . 0.0 112.616 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.445 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 7.8 t80 -61.3 -48.89 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.357 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' D' ' 29' ' ' GLN . 81.2 mt -64.51 -44.23 96.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.529 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -61.09 -48.52 81.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.409 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.06 -43.51 98.78 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' C' ' 37' ' ' LEU . 94.1 m -65.77 -37.57 86.68 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' E' ' 36' ' ' CYS . 24.8 mt -60.63 -42.01 96.02 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.08 -43.32 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.09 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 86.0 m -61.53 -41.85 97.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.238 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.66 -40.39 96.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.083 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.4 -43.04 99.55 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.46 -38.85 92.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.685 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 mm -62.99 -42.66 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 84.3 m -61.1 -38.75 87.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.4 -42.61 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.381 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.516 HG23 ' SD ' ' E' ' 50' ' ' MET . 80.3 mt -63.87 -42.61 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.529 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.694 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.3 -44.47 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.37 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.515 ' SD ' HG23 ' C' ' 48' ' ' ILE . 43.6 mtt -63.82 -39.19 93.63 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.247 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.15 -38.86 92.59 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.27 -27.52 67.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 98.8 mttt -111.06 -23.66 10.79 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.861 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -59.33 -24.98 29.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -62.06 -39.68 93.24 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.269 -0.878 . . . . 0.0 108.96 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 26.5 m-85 -67.74 -40.57 84.13 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.359 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.457 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.6 mp -62.04 -40.19 94.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -61.61 -44.55 96.78 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -61.87 -39.4 91.8 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.523 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . 0.414 ' HB2' HH12 ' E' ' 14' ' ' ARG . 16.0 m -60.39 -34.28 73.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.709 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.04 88.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' E' ' 16' ' ' SER . 31.3 mm -63.14 -42.42 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -64.48 -37.31 87.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.843 -1.071 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.431 ' O ' HD11 ' E' ' 18' ' ' ILE . 82.7 mtt85 -61.38 -46.01 91.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.82 73.64 0.08 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.713 -0.795 . . . . 0.0 112.292 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . 0.512 ' HB3' HG23 ' E' ' 12' ' ' ILE . 1.3 t -157.87 -27.7 0.08 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.339 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -127.99 -15.03 4.88 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.604 0.24 . . . . 0.0 111.351 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.615 HD12 HD23 ' E' ' 28' ' ' LEU . 20.4 pt -83.7 4.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -102.17 10.27 39.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.79 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.557 ' O ' ' HB3' ' E' ' 24' ' ' ALA . 0.0 OUTLIER -59.7 152.43 57.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.582 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -75.45 21.05 0.48 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.843 2.362 . . . . 0.0 112.61 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -112.66 -135.1 0.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -73.39 0.51 12.0 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.096 0.474 . . . . 0.0 110.046 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' E' ' 20' ' ' MET . . . -60.29 -27.08 67.0 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.999 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -56.99 -35.85 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -63.13 -39.73 95.55 Favored 'General case' 0 C--O 1.213 -0.838 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -62.9 -39.3 94.08 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.567 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.615 HD23 HD12 ' E' ' 18' ' ' ILE . 25.1 mt -63.16 -43.49 98.15 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.462 ' HG2' HD12 ' E' ' 33' ' ' ILE . 57.3 tt0 -60.39 -38.92 85.49 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 113.143 -1.844 . . . . 0.0 108.711 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 29' ' ' GLN . 5.5 m120 -64.78 -43.27 93.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.493 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -64.35 -46.82 81.79 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.938 -0.705 . . . . 0.0 112.669 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.442 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 7.9 t80 -61.22 -48.92 79.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.328 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.462 HD12 ' HG2' ' E' ' 29' ' ' GLN . 81.4 mt -64.51 -44.19 96.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.544 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -61.14 -48.42 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.388 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -61.13 -43.62 98.59 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.346 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' D' ' 37' ' ' LEU . 95.5 m -65.74 -37.57 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 36' ' ' CYS . 25.0 mt -60.62 -41.99 95.94 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.04 -43.29 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 72.2 mt -62.58 -42.25 99.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.672 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.04 -42.94 97.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 87.2 m -61.69 -41.91 98.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.209 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.57 -40.39 96.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.115 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.41 -42.84 99.37 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 65.1 mt -64.6 -38.95 92.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.621 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 6.6 mm -62.95 -42.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.25 -38.72 87.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 8.9 mm -64.28 -42.83 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.314 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.509 HG23 ' SD ' ' A' ' 50' ' ' MET . 80.3 mt -63.77 -42.63 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.724 179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -62.35 -44.34 99.09 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.363 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.516 ' SD ' HG23 ' D' ' 48' ' ' ILE . 43.5 mtt -63.87 -39.16 93.54 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.281 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 7.7 mt -64.13 -38.74 92.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.984 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' HG22 ' A' ' 4' ' ' VAL . 97.6 mtp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -77.97 -7.75 57.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 109.587 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -60.99 -37.35 82.19 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.618 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 1' ' ' MET . 6.1 m -57.52 -27.93 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.526 -179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.32 -37.26 84.97 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.329 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -63.35 -44.62 94.32 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.8 mp -63.63 -41.03 98.3 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.861 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.7 m -59.49 -48.53 81.29 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.634 ' HA ' HD12 ' A' ' 12' ' ' ILE . 88.3 mtm180 -62.42 -39.52 93.57 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.008 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.5 t -59.41 -37.05 77.04 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.26 0.552 . . . . 0.0 110.044 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.57 -40.12 88.81 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.14 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 9' ' ' ARG . 26.0 mt -65.36 -42.34 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.097 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.0 -44.89 87.49 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.25 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -38.78 92.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.43 -12.76 59.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 t -80.09 -32.35 39.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.313 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 ' H ' HG23 ' A' ' 17' ' ' THR . 1.0 OUTLIER -72.09 -34.98 69.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.464 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 pt -72.73 -8.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -129.27 5.21 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.405 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -60.16 -50.73 84.74 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.451 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 20' ' ' MET . 19.8 Cg_exo -62.85 146.14 94.88 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 122.333 2.022 . . . . 0.0 111.77 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -55.41 -43.14 75.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.24 64.29 8.2 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -55.36 -41.45 72.57 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.309 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -59.57 -40.31 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.35 0.523 . . . . 0.0 110.405 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -68.45 -32.93 73.28 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.699 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.45 -42.44 98.65 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.532 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 18.4 mt -66.29 -41.93 89.08 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 108.301 -1.0 . . . . 2.22 108.301 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.54 -42.34 78.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.765 -1.561 . . . . 1.92 107.342 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -63.23 -43.38 98.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.532 -1.213 . . . . 2.55 110.944 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.71 -45.57 78.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 120.113 -0.635 . . . . 2.5 112.123 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -61.6 -45.24 94.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.278 -0.569 . . . . 2.48 111.889 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.95 -44.84 81.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 C-N-CA 120.326 -0.55 . . . . 2.47 111.362 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 34' ' ' ASN . 12.4 m120 -63.48 -46.14 87.55 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.06 -0.656 . . . . 2.24 110.457 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.81 -41.35 97.65 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.707 -0.397 . . . . 2.21 110.331 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 92.3 m -66.08 -39.0 89.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.012 -0.675 . . . . 2.5 110.303 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' A' ' 40' ' ' ILE . 56.0 mt -67.15 -39.62 86.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.708 -0.479 . . . . 2.4 109.708 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.86 -44.36 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 N-CA-C 108.319 -0.993 . . . . 1.99 108.319 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.6 mt -56.89 -41.09 77.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.284 -0.636 . . . . 2.22 109.284 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 37' ' ' LEU . 32.3 mt -63.1 -43.13 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.813 -0.81 . . . . 2.41 108.813 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 40' ' ' ILE . 64.4 m -57.77 -47.75 81.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.163 -0.68 . . . . 2.29 109.163 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.02 -43.82 98.33 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.693 0.283 . . . . 2.26 110.257 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.4 mt -58.82 -41.6 87.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.054 -0.721 . . . . 2.36 109.054 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 ' CD1' HG23 ' B' ' 40' ' ' ILE . 67.4 mt -64.14 -39.0 93.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 2.21 109.477 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 48' ' ' ILE . 5.6 mm -62.38 -44.4 99.18 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.059 0 N-CA-C 109.097 -0.705 . . . . 2.36 109.097 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -57.43 -42.81 83.11 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.771 -0.649 . . . . 2.54 109.445 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.521 HD11 HG13 ' E' ' 48' ' ' ILE . 2.8 mt -67.3 -39.65 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.499 -0.773 . . . . 2.11 110.692 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.615 ' O ' HD12 ' A' ' 52' ' ' LEU . 22.5 mt -61.0 -46.46 96.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 N-CA-C 108.417 -0.957 . . . . 2.55 108.417 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.4 t -65.72 -42.86 93.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 114.309 -1.314 . . . . 0.0 111.338 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' E' ' 52' ' ' LEU . 18.0 mtt -65.49 -40.46 93.09 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.176 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -72.33 -29.04 63.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD11 ' SD ' ' B' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 117.552 -1.213 . . . . 0.0 109.444 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.451 ' O ' HG22 ' B' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -78.31 -8.08 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.345 0.593 . . . . 0.0 109.681 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.27 -35.27 76.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.105 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.451 HG22 ' O ' ' B' ' 1' ' ' MET . 6.7 m -59.24 -28.14 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.204 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.29 -37.18 84.84 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 119.835 -0.746 . . . . 0.0 109.265 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -63.4 -44.57 94.31 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.464 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.8 mp -63.54 -41.13 98.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.953 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 81.4 m -60.19 -45.13 94.17 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.633 ' HA ' HD12 ' B' ' 12' ' ' ILE . 88.0 mtm180 -65.29 -39.59 92.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.351 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 38.6 t -59.5 -37.0 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.305 0.574 . . . . 0.0 110.122 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.89 87.82 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.044 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 9' ' ' ARG . 26.7 mt -65.32 -42.33 93.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.12 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.57 -44.56 89.78 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.356 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.41 -38.95 93.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.344 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.15 -12.68 59.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.047 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -80.15 -32.47 38.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.259 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -35.08 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.7 -7.87 10.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.491 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -129.56 5.37 5.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.406 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 0.0 OUTLIER -60.39 -50.49 85.5 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.452 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' B' ' 20' ' ' MET . 19.0 Cg_exo -62.94 146.39 94.82 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.314 2.009 . . . . 0.0 111.655 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -55.6 -43.06 75.7 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -84.75 64.96 8.86 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' B' ' 28' ' ' LEU . . . -55.82 -41.49 74.3 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.071 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -58.84 -41.07 86.04 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.56 -0.456 . . . . 0.0 109.927 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.2 -37.27 83.38 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.382 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.07 -42.61 94.94 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 24' ' ' ALA . 19.4 mt -65.78 -41.98 91.33 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.77 -39.19 76.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.622 -1.626 . . . . 0.0 107.888 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -65.36 -45.7 83.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.158 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -45.02 89.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -61.35 -49.26 77.67 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.127 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.69 -45.25 92.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.773 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.75 -45.18 91.04 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -62.3 -41.99 98.98 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.934 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 87.9 m -65.19 -40.64 94.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.548 ' HA ' HD12 ' B' ' 40' ' ' ILE . 56.7 mt -65.62 -40.11 92.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.976 0.417 . . . . 0.0 109.91 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 7.3 mm -63.23 -41.77 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 26.6 mt -59.33 -40.94 87.93 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 37' ' ' LEU . 31.7 mt -62.86 -43.09 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.483 ' SG ' HG13 ' C' ' 40' ' ' ILE . 63.1 m -59.14 -45.1 91.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.632 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.91 -41.6 99.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.482 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.491 ' CD1' HG23 ' C' ' 40' ' ' ILE . 66.1 mt -64.09 -39.0 93.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.475 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.423 ' HA ' HD12 ' B' ' 48' ' ' ILE . 5.4 mm -62.59 -43.2 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.217 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.79 -42.53 89.28 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' A' ' 48' ' ' ILE . 2.8 mt -66.95 -40.21 85.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.723 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.657 ' O ' HD12 ' B' ' 52' ' ' LEU . 21.8 mt -60.86 -45.32 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.8 t -67.18 -42.77 88.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.169 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.701 ' SD ' HD11 ' A' ' 52' ' ' LEU . 17.9 mtt -65.42 -40.49 93.4 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.096 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -72.63 -28.56 62.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.695 HD11 ' SD ' ' C' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.656 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.452 ' O ' HG22 ' C' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -78.16 -8.02 57.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.341 0.591 . . . . 0.0 109.62 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.45 -35.21 76.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.452 HG22 ' O ' ' C' ' 1' ' ' MET . 6.8 m -59.36 -27.93 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.319 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -66.27 -37.35 85.27 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.282 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -63.27 -44.59 94.67 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.453 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.7 mp -63.73 -41.04 98.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.891 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 81.9 m -60.14 -45.14 94.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.629 ' HA ' HD12 ' C' ' 12' ' ' ILE . 88.0 mtm180 -65.41 -39.53 92.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 38.7 t -59.56 -37.08 77.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.186 0.517 . . . . 0.0 110.033 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.95 88.31 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.016 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' C' ' 9' ' ' ARG . 26.5 mt -65.3 -42.47 93.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.164 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.26 -44.54 88.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.382 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -38.9 92.86 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.368 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.08 -12.85 59.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 18.0 t -80.16 -32.43 38.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.434 HG23 ' H ' ' C' ' 17' ' ' THR . 1.0 OUTLIER -71.76 -35.22 70.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 pt -72.42 -7.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.737 0.303 . . . . 0.0 111.532 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -129.57 5.39 5.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.405 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 0.0 OUTLIER -60.3 -50.63 84.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.465 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' C' ' 20' ' ' MET . 19.9 Cg_exo -62.82 146.37 95.01 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.306 2.004 . . . . 0.0 111.616 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -55.66 -42.98 75.83 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -84.77 64.87 8.82 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' C' ' 28' ' ' LEU . . . -55.64 -41.55 73.72 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.276 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -58.99 -41.25 87.16 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.522 -0.471 . . . . 0.0 109.791 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -66.93 -37.37 84.19 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.308 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.91 -42.56 94.16 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' C' ' 24' ' ' ALA . 18.9 mt -65.82 -42.08 91.05 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.56 -39.52 76.87 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 113.673 -1.603 . . . . 0.0 107.927 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -65.04 -45.75 84.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.206 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.37 -44.68 90.63 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.57 -49.46 76.55 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.939 -0.704 . . . . 0.0 111.033 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.61 -44.94 93.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.824 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.06 -44.91 91.0 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.819 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.55 -41.87 99.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.477 -0.489 . . . . 0.0 109.895 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 87.0 m -65.32 -40.52 93.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' C' ' 40' ' ' ILE . 56.8 mt -65.74 -39.93 91.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.47 -41.62 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.44 -40.72 87.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' C' ' 37' ' ' LEU . 31.0 mt -63.09 -42.98 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.488 ' SG ' HG13 ' D' ' 40' ' ' ILE . 63.5 m -59.06 -45.21 91.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.806 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.76 -41.65 99.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.449 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 51.6 mt -61.49 -41.54 97.42 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.498 ' CD1' HG23 ' D' ' 40' ' ' ILE . 66.1 mt -64.08 -39.16 93.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.391 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' C' ' 48' ' ' ILE . 5.5 mm -62.51 -43.12 98.06 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.1 m -58.89 -42.59 89.88 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.507 HD11 HG13 ' B' ' 48' ' ' ILE . 2.8 mt -66.91 -40.44 85.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.84 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.654 ' O ' HD12 ' C' ' 52' ' ' LEU . 22.0 mt -60.69 -45.27 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.679 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.27 -42.72 88.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.695 ' SD ' HD11 ' B' ' 52' ' ' LEU . 18.4 mtt -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.186 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -72.78 -28.74 62.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.686 HD11 ' SD ' ' D' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-O 117.616 -1.183 . . . . 0.0 109.775 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.456 ' O ' HG22 ' D' ' 4' ' ' VAL . 97.4 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -77.96 -8.11 57.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.332 0.587 . . . . 0.0 109.659 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.3 -35.28 76.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.121 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.456 HG22 ' O ' ' D' ' 1' ' ' MET . 6.9 m -59.42 -27.67 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.304 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.48 -37.21 84.6 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 119.904 -0.719 . . . . 0.0 109.319 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -63.34 -44.68 94.17 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.7 mp -63.64 -40.96 98.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.958 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -60.33 -45.09 94.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.609 ' HA ' HD12 ' D' ' 12' ' ' ILE . 88.0 mtm180 -65.3 -39.75 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.446 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.7 t -59.27 -37.08 76.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 110.159 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.83 -39.82 87.8 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.248 -0.887 . . . . 0.0 108.985 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' D' ' 9' ' ' ARG . 25.7 mt -65.46 -42.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.059 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.26 -44.66 88.48 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.386 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.51 -38.93 93.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.04 -12.89 60.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 18.2 t -80.08 -32.58 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.707 0.289 . . . . 0.0 111.391 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.64 -35.31 70.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 47.4 pt -72.59 -7.59 9.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.471 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -129.77 5.42 5.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.613 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.404 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 0.0 OUTLIER -60.44 -50.51 85.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.395 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' D' ' 20' ' ' MET . 19.4 Cg_exo -62.91 146.32 94.84 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.284 1.989 . . . . 0.0 111.568 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -55.65 -43.12 75.94 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -84.61 64.85 8.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' D' ' 28' ' ' LEU . . . -55.79 -41.58 74.3 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.199 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -58.87 -41.07 86.19 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.959 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -67.1 -37.39 83.84 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -60.02 -42.66 94.83 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' D' ' 24' ' ' ALA . 19.2 mt -65.56 -42.23 92.08 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -57.49 -39.37 76.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 113.62 -1.627 . . . . 0.0 107.957 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -65.23 -45.72 83.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.132 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.31 -44.75 90.59 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.49 -49.49 76.54 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 119.866 -0.733 . . . . 0.0 111.102 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.47 -45.09 93.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.826 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -64.0 -45.06 90.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.826 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -62.38 -41.64 98.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.526 -0.47 . . . . 0.0 109.913 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 87.2 m -65.6 -40.41 92.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.551 ' HA ' HD12 ' D' ' 40' ' ' ILE . 56.9 mt -65.88 -39.86 91.06 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.4 -41.7 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.44 -40.79 87.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' D' ' 37' ' ' LEU . 30.9 mt -63.02 -43.07 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.486 ' SG ' HG13 ' E' ' 40' ' ' ILE . 63.5 m -59.15 -45.03 92.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.795 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.95 -41.5 99.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' E' ' 40' ' ' ILE . 66.5 mt -64.01 -39.09 93.33 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.424 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.44 ' HA ' HD12 ' D' ' 48' ' ' ILE . 5.5 mm -62.53 -43.12 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.81 -42.77 89.91 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.511 HD11 HG13 ' C' ' 48' ' ' ILE . 2.8 mt -66.68 -40.45 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.844 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.658 ' O ' HD12 ' D' ' 52' ' ' LEU . 21.7 mt -60.68 -45.36 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.652 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.2 -42.71 88.31 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.215 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.686 ' SD ' HD11 ' C' ' 52' ' ' LEU . 17.9 mtt -65.43 -40.3 93.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.162 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -72.76 -28.66 62.74 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' E' ' 50' ' ' MET . 3.4 mt . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.681 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.459 ' O ' HG22 ' E' ' 4' ' ' VAL . 97.7 mtp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -77.91 -8.08 57.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.367 0.603 . . . . 0.0 109.786 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.37 -35.32 77.14 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.106 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.459 HG22 ' O ' ' E' ' 1' ' ' MET . 7.0 m -59.35 -27.84 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.22 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -66.22 -37.39 85.44 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 119.973 -0.691 . . . . 0.0 109.302 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -63.24 -44.7 94.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.46 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -63.61 -41.03 98.34 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 78.5 m -60.2 -45.16 94.13 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.613 ' HA ' HD12 ' E' ' 12' ' ' ILE . 88.0 mtm180 -65.36 -39.59 92.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.486 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 38.8 t -59.46 -37.04 77.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.301 0.572 . . . . 0.0 110.064 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.84 88.08 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.091 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' E' ' 9' ' ' ARG . 26.4 mt -65.53 -42.24 92.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.08 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -58.49 -44.66 89.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.359 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.43 -38.88 92.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.309 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.24 -12.6 59.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 18.1 t -80.35 -32.5 37.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.346 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.415 HG23 ' H ' ' E' ' 17' ' ' THR . 0.9 OUTLIER -71.73 -35.24 70.11 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 47.7 pt -72.56 -7.98 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.422 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -129.47 5.53 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.409 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 0.0 OUTLIER -60.45 -50.55 85.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.443 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' E' ' 20' ' ' MET . 19.1 Cg_exo -62.82 146.49 95.04 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.311 2.007 . . . . 0.0 111.607 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -55.88 -42.87 76.58 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -84.89 64.91 8.91 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' E' ' 28' ' ' LEU . . . -55.62 -41.76 73.96 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.1 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -58.91 -41.1 86.43 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.555 -0.458 . . . . 0.0 109.859 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -67.11 -37.2 83.48 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.132 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -60.08 -42.75 95.28 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.194 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' E' ' 24' ' ' ALA . 19.8 mt -65.56 -42.12 92.19 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -57.7 -39.26 76.81 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 113.688 -1.596 . . . . 0.0 107.937 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -65.34 -45.69 83.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.173 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.32 -44.91 90.08 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.307 -0.557 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -61.41 -49.14 78.07 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.854 -0.739 . . . . 0.0 111.077 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.82 -45.04 92.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.821 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.81 -45.14 90.97 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.301 -0.559 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.35 -41.85 98.93 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.577 -0.449 . . . . 0.0 109.97 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.423 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 87.2 m -65.42 -40.61 93.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' E' ' 40' ' ' ILE . 57.1 mt -65.71 -39.79 91.58 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.36 -41.82 94.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.35 -40.91 87.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' E' ' 37' ' ' LEU . 31.0 mt -62.9 -43.09 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.472 ' SG ' HG13 ' A' ' 40' ' ' ILE . 63.1 m -59.2 -44.97 92.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.738 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.98 -41.8 99.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 51.5 mt -61.44 -41.42 97.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.495 ' CD1' HG23 ' A' ' 40' ' ' ILE . 66.4 mt -64.18 -39.15 93.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' E' ' 48' ' ' ILE . 5.4 mm -62.43 -43.3 98.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 71.5 m -58.76 -42.45 88.91 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.508 HD11 HG13 ' D' ' 48' ' ' ILE . 2.8 mt -66.93 -40.37 85.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.773 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.656 ' O ' HD12 ' E' ' 52' ' ' LEU . 21.9 mt -60.8 -45.18 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.12 -42.95 88.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.212 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.675 ' SD ' HD11 ' D' ' 52' ' ' LEU . 17.8 mtt -65.32 -40.47 93.78 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.197 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -72.57 -28.65 62.94 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.675 HD11 ' SD ' ' A' ' 50' ' ' MET . 3.3 mt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 117.542 -1.218 . . . . 0.0 109.766 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.493 1.717 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.96 -53.16 28.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.103 0.478 . . . . 0.0 109.769 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -128.6 -26.47 2.73 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.53 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.2 m -59.21 -24.42 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.28 -42.2 98.23 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -65.08 -42.93 93.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.933 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.4 mp -61.47 -44.15 97.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.4 m -60.29 -43.61 96.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.087 -0.961 . . . . 0.0 108.911 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.83 -38.94 92.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.941 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.414 ' HA ' HH11 ' A' ' 13' ' ' ARG . 16.2 m -60.38 -34.52 74.01 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.95 85.17 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.414 HD13 ' HA ' ' A' ' 12' ' ' ILE . 29.2 mm -65.12 -41.97 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.089 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 HH11 ' HA ' ' A' ' 10' ' ' SER . 83.5 mtt85 -59.16 -42.13 90.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.421 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -60.27 -44.81 95.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.74 -22.97 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -69.17 -34.19 74.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.043 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -43.46 52.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.193 -0.603 . . . . 0.0 111.923 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.8 pt -70.18 -13.92 17.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -108.78 -5.84 16.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.6 ttt -144.35 80.96 11.66 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.386 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.689 ' HA ' HD11 ' A' ' 28' ' ' LEU . 35.7 Cg_exo -58.93 -24.17 71.54 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.17 2.58 . . . . 0.0 111.449 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.03 -29.11 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.479 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -58.66 -46.02 88.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 176.9 99.86 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.193 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -59.86 -34.92 73.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.503 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -65.38 -34.72 78.98 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.158 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.31 -42.16 98.99 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.193 -0.603 . . . . 0.0 109.764 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 21' ' ' PRO . 10.6 mt -61.44 -42.85 99.4 Favored 'General case' 0 CA--C 1.497 -1.058 0 N-CA-C 108.118 -1.068 . . . . 2.04 108.118 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -59.97 -40.25 88.42 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 113.994 -1.457 . . . . 2.3 108.166 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -64.01 -43.07 96.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.366 -0.834 . . . . 2.43 110.909 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.71 -46.21 72.89 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.276 -0.57 . . . . 2.39 110.609 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.96 -43.22 95.18 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.941 0.401 . . . . 2.44 111.586 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.449 HG21 HG12 ' B' ' 33' ' ' ILE . 83.9 mt -70.46 -43.82 77.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.06 -0.518 . . . . 2.29 110.781 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.98 -50.05 74.98 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.14 -0.482 . . . . 2.32 110.524 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -63.73 -41.97 97.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.314 -0.403 . . . . 2.49 110.878 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.404 ' HB2' HD13 ' E' ' 37' ' ' LEU . 62.7 m -65.01 -42.28 94.58 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.326 -0.55 . . . . 2.34 110.829 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.3 mt -65.62 -38.86 90.61 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.584 -0.525 . . . . 2.18 109.584 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.51 -45.65 98.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 N-CA-C 108.197 -1.038 . . . . 2.2 108.197 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.56 -39.68 91.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.909 -0.587 . . . . 2.34 109.853 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.26 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.619 -0.882 . . . . 2.34 108.619 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.07 -42.21 98.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.247 -0.888 . . . . 2.17 109.114 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 mt -62.34 -42.38 99.34 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.72 -0.474 . . . . 2.16 109.72 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.5 -42.97 93.41 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.879 -0.786 . . . . 2.44 108.879 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.6 mt -64.14 -39.17 93.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.508 -0.553 . . . . 2.34 109.508 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mm -62.1 -43.38 97.68 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 109.146 -0.687 . . . . 2.24 109.146 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 74.2 m -58.22 -40.52 81.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.079 -0.51 . . . . 2.31 109.802 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.7 -41.65 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.907 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.088 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.72 -46.09 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 N-CA-C 108.282 -1.007 . . . . 2.57 108.282 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.3 t -60.76 -46.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.302 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.439 ' HB3' HD11 ' E' ' 51' ' ' LEU . 81.8 mmm -63.97 -42.0 97.37 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.29 -179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -80.09 -21.45 43.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.233 0.539 . . . . 0.0 110.244 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' B' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -68.16 -53.27 26.25 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.63 -26.1 2.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.506 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 m -59.61 -24.38 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -61.21 -42.08 97.97 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.18 -42.88 93.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.866 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.499 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.3 mp -62.23 -42.62 99.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.741 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 72.3 m -61.56 -43.17 99.34 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.832 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -64.01 -39.7 94.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.91 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.405 ' HA ' HH11 ' B' ' 13' ' ' ARG . 16.1 m -59.57 -35.21 73.82 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.47 88.2 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mm -64.85 -42.03 93.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.097 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.405 HH11 ' HA ' ' B' ' 10' ' ' SER . 83.6 mtt85 -58.95 -41.78 88.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.386 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -61.35 -43.58 98.63 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.17 -23.01 61.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.882 -1.053 . . . . 0.0 110.84 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t -69.34 -34.04 74.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.04 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.434 HG23 ' H ' ' B' ' 17' ' ' THR . 0.8 OUTLIER -75.1 -43.81 50.85 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.809 -179.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 pt -69.86 -14.01 17.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -108.89 -5.78 16.03 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 7.7 ttt -144.32 80.86 11.77 Favored Pre-proline 0 N--CA 1.451 -0.378 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.422 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.675 ' HA ' HD11 ' B' ' 28' ' ' LEU . 38.3 Cg_exo -58.75 -24.69 72.62 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 123.186 2.591 . . . . 0.0 111.262 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.59 -29.21 61.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.464 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -58.66 -45.91 88.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.12 101.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.807 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -61.2 -35.16 76.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.109 0.48 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.14 -37.86 88.99 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.73 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.55 -39.98 93.05 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.61 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' B' ' 21' ' ' PRO . 11.2 mt -63.13 -43.04 99.51 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.46 -38.53 84.52 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 114.041 -1.436 . . . . 0.0 108.711 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -64.79 -44.13 90.96 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.565 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.68 -43.98 78.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.26 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.5 -48.18 82.88 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.449 HG12 HG21 ' A' ' 33' ' ' ILE . 90.5 mt -66.25 -43.73 91.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.353 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -61.46 -49.47 76.67 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.34 -42.46 98.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.742 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.402 ' CB ' HD13 ' A' ' 37' ' ' LEU . 61.9 m -64.41 -44.76 90.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.562 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' C' ' 36' ' ' CYS . 26.6 mt -63.72 -38.51 91.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.878 0.371 . . . . 0.0 110.065 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mm -63.17 -43.83 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.84 -39.86 95.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.318 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.81 -42.57 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 88.5 m -62.34 -41.26 98.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.703 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.6 mt -62.56 -41.45 98.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.723 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.0 mt -61.12 -42.9 99.38 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 30.6 mt -64.22 -38.92 92.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.487 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.62 -42.41 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -59.23 -40.28 85.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.801 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.43 -43.11 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.45 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 109.409 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.72 -44.56 96.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.124 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.129 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.444 ' HB3' HD11 ' A' ' 51' ' ' LEU . 81.0 mmm -65.8 -41.81 91.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.945 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.488 ' O ' HD12 ' B' ' 51' ' ' LEU . 0.4 OUTLIER -79.85 -21.47 44.08 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.245 0.545 . . . . 0.0 110.104 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.433 HD22 ' SD ' ' C' ' 50' ' ' MET . 47.9 tp . . . . . 0 C--N 1.322 -0.597 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.117 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.21 -53.42 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.27 -26.25 2.85 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.611 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 23.6 m -59.59 -24.23 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -61.29 -42.04 97.98 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -65.12 -43.16 92.87 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.886 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.493 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.4 mp -62.08 -42.6 99.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 72.8 m -61.8 -43.39 98.95 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -63.54 -39.58 94.79 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.068 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . 0.41 ' HA ' HH11 ' C' ' 13' ' ' ARG . 15.7 m -59.44 -35.54 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.49 89.05 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' C' ' 12' ' ' ILE . 28.4 mm -64.99 -41.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.011 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.41 HH11 ' HA ' ' C' ' 10' ' ' SER . 83.5 mtt85 -59.09 -41.78 88.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.478 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.44 61.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.767 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -68.98 -34.19 74.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.982 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.435 HG23 ' H ' ' C' ' 17' ' ' THR . 0.8 OUTLIER -75.14 -43.55 51.93 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.871 -179.588 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 44.4 pt -70.12 -14.02 17.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.228 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -108.69 -5.97 16.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -144.08 80.73 12.13 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.453 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.69 ' HA ' HD11 ' C' ' 28' ' ' LEU . 37.9 Cg_exo -58.87 -24.32 71.76 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 123.23 2.62 . . . . 0.0 111.318 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -56.88 -29.24 62.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -58.56 -46.26 87.25 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.32 101.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.875 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -61.02 -35.49 77.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -64.03 -37.96 89.35 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.671 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.38 -40.03 92.85 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 120.209 -0.596 . . . . 0.0 110.547 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' C' ' 21' ' ' PRO . 11.4 mt -62.98 -42.99 99.99 Favored 'General case' 0 CA--C 1.497 -1.072 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -60.45 -38.57 84.57 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 113.961 -1.472 . . . . 0.0 108.558 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -65.0 -43.94 90.88 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.71 -44.07 78.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.35 -47.84 84.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.243 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.446 HG21 HG12 ' D' ' 33' ' ' ILE . 89.1 mt -66.83 -43.47 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -61.48 -49.9 74.92 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.586 -0.445 . . . . 0.0 110.599 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -63.3 -42.17 99.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.761 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.409 ' HB2' HD13 ' B' ' 37' ' ' LEU . 63.8 m -64.5 -45.18 88.38 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.458 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.413 HD13 ' HB2' ' D' ' 36' ' ' CYS . 26.9 mt -63.2 -39.02 93.44 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.102 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.83 -43.92 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.83 -39.94 95.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.342 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.65 -42.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 89.9 m -62.54 -41.12 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.576 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 63.8 mt -62.46 -41.95 99.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.682 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 mt -60.61 -43.17 97.76 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.1 -38.92 92.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.523 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.64 -42.11 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 82.0 m -59.66 -40.26 87.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.708 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.0 mm -64.31 -42.92 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.7 -42.56 96.4 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.621 0 CA-C-O 121.507 0.67 . . . . 0.0 109.231 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 46.1 t -64.44 -44.86 97.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.34 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.433 ' SD ' HD22 ' B' ' 52' ' ' LEU . 80.5 mmm -65.46 -41.94 92.86 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.079 -179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.472 ' O ' HD12 ' C' ' 51' ' ' LEU . 0.4 OUTLIER -79.76 -21.71 44.09 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.152 0.501 . . . . 0.0 110.05 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.436 HD22 ' SD ' ' D' ' 50' ' ' MET . 47.7 tp . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.329 -0.844 . . . . 0.0 110.309 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.0 -53.77 23.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.14 0.495 . . . . 0.0 109.665 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -128.05 -26.33 2.89 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.661 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 m -59.48 -24.16 27.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -61.48 -41.72 97.69 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -65.49 -43.0 91.55 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.692 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.495 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.4 mp -62.08 -42.35 99.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 0.0 109.824 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 74.9 m -61.87 -43.34 99.04 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.643 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.14 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . 0.417 ' HA ' HH11 ' D' ' 13' ' ' ARG . 16.5 m -59.41 -35.24 73.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.76 -39.34 87.85 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 28.2 mm -65.14 -41.63 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.975 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.417 HH11 ' HA ' ' D' ' 10' ' ' SER . 83.5 mtt85 -59.32 -41.58 89.4 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.479 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -61.65 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.15 -23.49 62.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.761 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -69.15 -33.79 73.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.144 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -43.26 49.09 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.71 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 pt -70.39 -13.58 17.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.233 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.91 -6.3 15.8 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -143.74 80.82 12.47 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.431 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.689 ' HA ' HD11 ' D' ' 28' ' ' LEU . 35.8 Cg_exo -58.77 -24.27 70.71 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.953 2.435 . . . . 0.0 111.615 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -56.86 -29.27 62.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.336 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -58.6 -46.25 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.46 101.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.797 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -61.11 -35.42 76.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.983 0.421 . . . . 0.0 110.207 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -63.72 -38.14 90.01 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.58 -39.9 92.84 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.419 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' D' ' 21' ' ' PRO . 11.5 mt -63.17 -42.99 99.5 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.44 -38.49 84.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.52 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -64.92 -44.21 90.26 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.43 -44.11 79.53 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.46 -47.88 84.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.191 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.45 HG21 HG12 ' E' ' 33' ' ' ILE . 88.7 mt -66.69 -43.42 90.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.321 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -61.39 -49.98 74.71 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.692 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -63.21 -42.14 99.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.723 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.413 ' HB2' HD13 ' C' ' 37' ' ' LEU . 64.0 m -64.78 -44.9 88.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.398 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' ' 37' ' ' LEU . 26.1 mt -63.52 -38.81 92.57 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.064 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.85 -43.95 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.76 -39.94 95.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.438 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' D' ' 43' ' ' LEU . 1.6 mm -62.8 -42.55 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.48 -41.13 98.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.46 -41.6 98.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.836 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 40' ' ' ILE . 41.8 mt -60.65 -43.1 98.0 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 31.3 mt -64.24 -39.03 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.586 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.58 -42.25 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 82.6 m -59.66 -40.16 86.81 Favored 'General case' 0 C--O 1.222 -0.387 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -64.27 -42.84 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.87 -42.58 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.35 -44.98 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.056 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.261 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.436 ' SD ' HD22 ' C' ' 52' ' ' LEU . 80.6 mmm -65.33 -41.99 93.37 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.023 -179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.458 ' O ' HD12 ' D' ' 51' ' ' LEU . 0.4 OUTLIER -79.87 -21.75 43.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.2 0.524 . . . . 0.0 110.05 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.43 HD22 ' SD ' ' E' ' 50' ' ' MET . 47.2 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.427 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -68.11 -53.35 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -128.4 -26.19 2.82 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.53 -24.4 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.528 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -61.14 -42.17 98.06 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -65.14 -43.04 93.17 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.897 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.485 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.4 mp -62.12 -42.35 99.14 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.152 0.501 . . . . 0.0 109.775 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.9 m -61.86 -43.53 98.65 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -63.5 -39.6 94.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.143 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . 0.404 ' HA ' HH11 ' E' ' 13' ' ' ARG . 15.9 m -59.71 -35.19 74.01 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.43 88.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.421 -0.809 . . . . 0.0 108.825 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 mm -65.0 -42.01 93.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.24 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.404 HH11 ' HA ' ' E' ' 10' ' ' SER . 83.7 mtt85 -59.01 -41.54 87.93 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.518 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -61.71 -43.31 99.1 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -23.05 62.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.951 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t -69.05 -34.28 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.165 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.411 HG23 ' H ' ' E' ' 17' ' ' THR . 0.8 OUTLIER -75.1 -43.81 50.86 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.747 -179.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 44.3 pt -69.8 -14.22 18.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.272 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -108.8 -5.78 16.12 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 7.8 ttt -144.01 80.7 12.24 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.353 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.674 ' HA ' HD11 ' E' ' 28' ' ' LEU . 39.2 Cg_exo -58.68 -24.47 70.99 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 123.117 2.545 . . . . 0.0 111.368 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -56.63 -29.33 62.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -58.53 -46.14 87.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.33 101.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.765 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -61.33 -35.39 77.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.05 -37.85 88.92 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.827 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -61.41 -40.09 93.12 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' E' ' 21' ' ' PRO . 11.4 mt -63.12 -42.95 99.62 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -60.42 -38.6 84.56 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.093 -1.412 . . . . 0.0 108.639 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -64.82 -44.08 91.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.663 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.76 -43.78 79.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.272 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.87 -48.19 82.96 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.228 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.45 HG12 HG21 ' D' ' 33' ' ' ILE . 89.5 mt -66.32 -43.52 91.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.243 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.57 -49.6 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.633 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -63.47 -42.09 98.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.409 ' CB ' HD13 ' D' ' 37' ' ' LEU . 62.0 m -64.57 -45.15 88.3 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' E' ' 37' ' ' LEU . 26.6 mt -63.4 -38.75 92.37 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mm -62.84 -43.88 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.68 -40.06 95.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.462 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -62.72 -42.56 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.55 -41.19 98.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 65.2 mt -62.48 -41.55 98.86 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 41.9 mt -60.97 -43.16 99.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 31.7 mt -64.16 -38.74 92.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.518 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mm -62.66 -42.4 95.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.31 -40.43 86.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.602 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 28.7 mm -64.18 -42.9 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.75 -42.31 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.391 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 44.7 t -64.72 -44.68 96.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.438 ' HB3' HD11 ' D' ' 51' ' ' LEU . 81.2 mmm -65.56 -41.8 92.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.979 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.49 ' O ' HD12 ' E' ' 51' ' ' LEU . 0.4 OUTLIER -80.07 -21.48 43.34 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.409 0.623 . . . . 0.0 110.168 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.428 HD22 ' SD ' ' A' ' 50' ' ' MET . 48.6 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 118.356 -0.831 . . . . 0.0 110.172 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -77.73 -1.51 31.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' A' ' 6' ' ' TYR . 98.9 mttt -61.52 -44.69 96.61 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 m -65.29 -32.65 59.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 113.926 -1.488 . . . . 0.0 110.362 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -34.2 75.39 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.744 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 3' ' ' LYS . 19.5 m-85 -63.87 -44.2 93.79 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.0 mp -62.75 -43.52 98.59 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 108.504 -0.925 . . . . 0.0 108.504 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -57.76 -42.9 84.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.46 -40.19 95.25 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.078 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.427 ' HA ' HH11 ' A' ' 13' ' ' ARG . 15.6 m -61.3 -32.71 72.57 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.22 84.26 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 12' ' ' ILE . 31.3 mm -64.96 -42.39 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.952 179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' A' ' 10' ' ' SER . 84.4 mtt85 -59.24 -41.41 88.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.852 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -64.4 -37.29 87.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.727 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.54 -14.35 56.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.223 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.13 -34.16 13.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.49 -36.07 68.32 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.808 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.1 pt -64.33 -21.18 28.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.539 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.41 -3.37 21.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.213 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.92 83.16 36.78 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.048 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.09 -21.52 62.93 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 122.51 2.14 . . . . 0.0 110.725 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.26 -31.91 70.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.868 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.68 -52.25 64.03 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.829 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' HB3' HD22 ' A' ' 27' ' ' ASN . . . 175.98 94.87 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.7 mtm-85 -58.51 -34.14 70.62 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.387 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -58.66 -41.53 86.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.566 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 HD22 ' HB3' ' A' ' 24' ' ' ALA . 69.1 m-20 -65.39 -40.96 94.11 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.463 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.9 -43.3 93.3 Favored 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 108.179 -1.045 . . . . 2.16 108.179 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -60.24 -43.7 95.86 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 113.864 -1.516 . . . . 2.2 108.447 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -62.6 -45.08 94.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.001 -1.0 . . . . 2.39 111.01 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.46 -44.99 77.25 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.584 -0.446 . . . . 2.37 111.457 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.01 -44.01 98.05 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 111.866 0.321 . . . . 2.43 111.866 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 87.5 mt -70.12 -43.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 C-N-CA 120.725 -0.39 . . . . 2.37 110.666 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.02 -49.55 75.58 Favored 'General case' 0 CA--C 1.514 -0.427 0 C-N-CA 120.433 -0.507 . . . . 2.29 110.546 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -62.71 -40.87 98.51 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.914 -0.315 . . . . 2.39 110.264 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.551 ' CB ' HD13 ' E' ' 37' ' ' LEU . 4.1 m -63.31 -42.43 99.02 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.357 -0.537 . . . . 2.33 110.198 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' B' ' 36' ' ' CYS . 24.8 mt -63.67 -39.09 93.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.614 -0.721 . . . . 2.19 110.091 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 mm -61.95 -43.77 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.916 -0.772 . . . . 2.15 108.916 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.0 mt -60.59 -40.95 93.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.791 -0.448 . . . . 2.28 109.791 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.511 HG22 HD12 ' B' ' 40' ' ' ILE . 36.4 mm -63.38 -42.27 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 108.975 -0.75 . . . . 2.36 108.975 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' SG ' HD11 ' B' ' 40' ' ' ILE . 71.8 m -60.99 -46.0 92.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.436 -0.802 . . . . 2.32 109.096 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.11 -42.45 99.25 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.471 -0.331 . . . . 2.2 110.316 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD13 ' HB2' ' E' ' 44' ' ' LEU . 20.0 mt -59.39 -42.87 92.71 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.743 -0.465 . . . . 2.26 109.743 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' HD13 ' B' ' 43' ' ' LEU . 6.9 mt -63.84 -38.68 92.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.612 -0.514 . . . . 2.29 109.612 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.419 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.7 mm -62.56 -43.1 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 N-CA-C 109.158 -0.682 . . . . 2.28 109.158 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.48 -39.04 89.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.897 -0.592 . . . . 2.33 109.539 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.414 HD13 HD21 ' E' ' 51' ' ' LEU . 9.3 mm -64.24 -41.93 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-N 115.92 -0.582 . . . . 2.17 109.954 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.01 -42.34 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 CA-C-O 121.521 0.677 . . . . 2.34 109.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 45' ' ' ILE . 56.0 t -64.68 -44.06 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.155 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.792 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.95 -41.89 99.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.136 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 51' ' ' LEU . 4.4 pp -78.21 -20.6 51.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.563 -0.855 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.732 -1.128 . . . . 0.0 110.309 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -78.12 -1.18 31.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' B' ' 6' ' ' TYR . 98.9 mttt -61.69 -44.31 97.19 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 m -65.63 -32.73 59.47 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 113.784 -1.553 . . . . 0.0 110.385 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -34.08 75.03 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.722 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' B' ' 3' ' ' LYS . 19.5 m-85 -63.75 -44.69 92.74 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.58 -40.42 96.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -60.55 -42.69 97.06 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.49 -39.85 94.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.148 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.416 ' HA ' HH11 ' B' ' 13' ' ' ARG . 15.5 m -61.18 -33.29 73.2 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.49 86.73 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 30.6 mm -64.74 -42.53 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 108.964 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.416 HH11 ' HA ' ' B' ' 10' ' ' SER . 84.5 mtt85 -59.1 -40.89 86.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.132 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.12 -37.29 86.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.811 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.11 -14.19 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.15 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.9 p -93.4 -34.12 13.58 Favored 'General case' 0 C--O 1.224 -0.256 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.69 -36.03 67.78 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.756 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 38.5 pt -64.31 -21.3 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.73 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.31 -3.41 21.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.13 83.11 38.17 Favored Pre-proline 0 N--CA 1.455 -0.2 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.984 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.99 -21.26 63.87 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.489 2.126 . . . . 0.0 110.785 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.45 -31.82 70.79 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.72 -51.86 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.85 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.69 95.42 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.455 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.16 -33.56 71.05 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.088 0.47 . . . . 0.0 109.744 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.39 -42.3 86.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.315 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -64.62 -41.33 96.27 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.431 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 28' ' ' LEU . 15.0 mt -64.56 -43.0 95.3 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.97 -39.83 93.52 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.819 -1.537 . . . . 0.0 109.238 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -65.19 -45.72 83.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.456 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.63 -43.66 79.83 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.975 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.0 -48.09 83.45 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.778 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.81 -44.01 89.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.231 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -62.55 -48.86 77.66 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.774 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.76 -40.77 98.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.559 ' CB ' HD13 ' A' ' 37' ' ' LEU . 4.6 m -63.28 -44.58 94.67 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.879 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' C' ' 36' ' ' CYS . 26.8 mt -61.71 -39.3 91.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.406 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 mm -61.9 -42.71 95.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.55 -40.54 95.08 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.511 HD12 HG22 ' A' ' 40' ' ' ILE . 34.8 mm -63.48 -42.71 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' C' ' 40' ' ' ILE . 73.0 m -61.38 -44.66 96.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.688 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.11 -40.77 98.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.392 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 44' ' ' LEU . 19.3 mt -61.34 -42.94 99.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.666 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' C' ' 43' ' ' LEU . 6.9 mt -63.96 -38.95 92.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 49' ' ' VAL . 6.3 mm -62.38 -43.19 97.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.5 -38.67 88.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.584 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.425 HD13 HD21 ' A' ' 51' ' ' LEU . 9.5 mm -64.13 -43.44 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.407 HG13 HD11 ' C' ' 47' ' ' ILE . 88.5 mt -63.6 -41.72 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.625 0 CA-C-O 121.519 0.676 . . . . 0.0 109.699 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 45' ' ' ILE . 55.2 t -65.24 -43.68 95.26 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.955 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.43 -41.7 98.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.018 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.463 HD12 ' C ' ' B' ' 51' ' ' LEU . 4.5 pp -78.43 -20.93 50.0 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.497 -0.881 . . . . 0.0 110.746 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.439 ' N ' HD12 ' B' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 117.834 -1.079 . . . . 0.0 110.083 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -77.98 -1.11 30.43 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.29 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.435 ' HA ' ' CD2' ' C' ' 6' ' ' TYR . 98.8 mttt -61.7 -44.45 96.92 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.407 ' H ' HG13 ' C' ' 4' ' ' VAL . 1.8 m -65.58 -32.74 59.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 113.707 -1.588 . . . . 0.0 110.404 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -34.09 75.12 Favored 'General case' 0 N--CA 1.434 -1.236 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.776 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' C' ' 3' ' ' LYS . 19.8 m-85 -63.68 -44.73 92.85 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.56 -40.4 96.89 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -60.6 -42.57 97.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.57 -39.91 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.18 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . 0.427 ' HA ' HH11 ' C' ' 13' ' ' ARG . 15.6 m -61.2 -33.28 73.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.41 86.8 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' C' ' 12' ' ' ILE . 33.8 mm -65.02 -42.22 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.158 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.427 HH11 ' HA ' ' C' ' 10' ' ' SER . 84.5 mtt85 -59.62 -40.47 87.67 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.941 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.16 -37.37 87.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.774 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.05 -14.03 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.261 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 23.8 p -93.23 -34.57 13.52 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -72.24 -36.47 69.1 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.825 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 39.9 pt -64.06 -21.24 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.795 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.29 -3.41 21.24 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.133 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.11 83.14 38.09 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.973 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.92 -21.51 63.93 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.552 2.168 . . . . 0.0 110.577 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.26 -31.89 70.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.939 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -62.62 -51.76 66.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.696 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.57 95.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -59.25 -33.61 71.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.12 0.486 . . . . 0.0 109.762 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.36 -42.3 86.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.183 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.652 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.29 -43.16 95.62 Favored 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -61.99 -39.88 93.72 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 113.718 -1.583 . . . . 0.0 109.172 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.3 -45.47 84.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.43 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.61 -43.35 80.65 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.088 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.25 -48.35 81.86 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.523 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -66.44 -44.21 90.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.309 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.24 -49.23 76.55 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -62.52 -40.84 98.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' B' ' 37' ' ' LEU . 4.1 m -63.23 -44.64 94.66 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.249 -0.581 . . . . 0.0 109.826 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.568 HD13 ' CB ' ' D' ' 36' ' ' CYS . 26.9 mt -61.91 -39.06 90.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.269 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -61.99 -42.64 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.53 -40.57 95.16 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.504 HG22 HD12 ' D' ' 40' ' ' ILE . 35.2 mm -63.58 -42.59 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.414 ' SG ' HD11 ' D' ' 40' ' ' ILE . 73.8 m -61.37 -44.59 96.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.68 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -40.66 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.307 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.9 mt -61.43 -42.87 99.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.532 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.407 ' HB2' HD13 ' D' ' 43' ' ' LEU . 6.9 mt -63.85 -38.83 92.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.63 -43.21 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.34 -38.82 88.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.558 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.422 HD13 HD21 ' B' ' 51' ' ' LEU . 9.3 mm -64.29 -43.53 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.406 HG13 HD11 ' D' ' 47' ' ' ILE . 85.8 mt -63.26 -41.8 94.09 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.494 0 CA-C-O 121.399 0.619 . . . . 0.0 109.851 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.37 -43.57 94.79 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.55 -41.6 98.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.984 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.449 ' C ' HD12 ' C' ' 51' ' ' LEU . 4.4 pp -78.43 -20.71 50.49 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 119.748 -0.781 . . . . 0.0 110.523 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 117.814 -1.088 . . . . 0.0 110.197 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.85 -1.47 31.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.328 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.423 ' HA ' ' CD2' ' D' ' 6' ' ' TYR . 98.8 mttt -61.63 -44.36 97.13 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.451 ' H ' HG13 ' D' ' 4' ' ' VAL . 1.8 m -65.72 -32.64 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 113.835 -1.53 . . . . 0.0 110.248 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -34.08 74.97 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.861 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' D' ' 3' ' ' LYS . 20.0 m-85 -63.71 -44.81 92.52 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.38 -40.47 97.31 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 99.5 m -60.58 -42.64 97.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.59 -39.66 94.13 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.151 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . 0.429 ' HA ' HH11 ' D' ' 13' ' ' ARG . 15.6 m -61.28 -33.33 73.38 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.77 -38.44 86.58 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.416 ' HA ' HD13 ' D' ' 12' ' ' ILE . 30.9 mm -64.96 -42.53 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.035 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.429 HH11 ' HA ' ' D' ' 10' ' ' SER . 84.5 mtt85 -59.15 -40.76 86.54 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.91 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -65.08 -37.44 87.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.2 -13.89 58.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.267 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.65 -34.44 13.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -72.28 -36.27 68.94 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.851 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 39.2 pt -64.11 -21.15 28.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.681 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -106.49 -3.34 21.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.152 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.08 83.08 37.79 Favored Pre-proline 0 N--CA 1.455 -0.181 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.947 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -64.99 -21.4 63.74 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.465 2.11 . . . . 0.0 110.809 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.19 -31.99 70.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.801 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -62.52 -51.95 65.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.907 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . 175.66 95.26 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.305 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm-85 -59.18 -33.28 70.74 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -58.56 -42.37 87.78 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.236 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -64.66 -41.2 96.25 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.43 -43.13 95.27 Favored 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.73 -39.96 93.39 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.691 -1.595 . . . . 0.0 109.182 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -65.33 -45.58 83.72 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.567 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.79 -43.37 79.88 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.982 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.03 -48.2 82.9 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.592 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.73 -44.07 89.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.185 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -62.28 -48.87 77.96 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.991 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -63.06 -40.47 97.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.836 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.568 ' CB ' HD13 ' C' ' 37' ' ' LEU . 3.9 m -63.45 -44.78 93.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.701 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.562 HD13 ' CB ' ' E' ' 36' ' ' CYS . 26.7 mt -61.82 -38.98 90.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.344 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.19 -42.43 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.73 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.516 HG22 HD12 ' E' ' 40' ' ' ILE . 34.7 mm -63.55 -42.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.425 ' SG ' HD11 ' E' ' 40' ' ' ILE . 71.5 m -61.52 -44.54 96.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.695 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.47 -40.46 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.7 mt -61.5 -42.91 99.52 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.425 ' HB2' HD13 ' E' ' 43' ' ' LEU . 6.8 mt -63.76 -38.96 93.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.416 ' O ' HG23 ' D' ' 49' ' ' VAL . 6.2 mm -62.28 -43.33 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 97.6 m -61.31 -38.88 88.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.574 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.417 HD13 HD21 ' C' ' 51' ' ' LEU . 9.2 mm -64.21 -43.4 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.414 HG13 HD11 ' E' ' 47' ' ' ILE . 88.0 mt -63.28 -42.07 95.07 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 CA-C-O 121.402 0.62 . . . . 0.0 109.749 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . 0.416 HG23 ' O ' ' D' ' 45' ' ' ILE . 55.8 t -65.07 -43.76 95.86 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.831 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 89.6 mmm -63.54 -41.56 98.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.017 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.468 HD12 ' C ' ' D' ' 51' ' ' LEU . 4.4 pp -78.66 -20.55 49.97 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.622 -0.831 . . . . 0.0 110.616 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.417 ' N ' HD12 ' D' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.568 0 CA-C-O 117.877 -1.058 . . . . 0.0 110.191 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -78.02 -1.43 32.17 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . 0.432 ' HA ' ' CD2' ' E' ' 6' ' ' TYR . 98.9 mttt -61.53 -44.45 97.03 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.44 ' H ' HG13 ' E' ' 4' ' ' VAL . 1.8 m -65.76 -32.27 57.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.896 -1.502 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.03 74.57 Favored 'General case' 0 N--CA 1.432 -1.328 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.799 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' E' ' 3' ' ' LYS . 19.7 m-85 -63.86 -44.37 93.3 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.76 -40.54 96.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -60.41 -42.44 95.99 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.64 -40.2 95.04 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.127 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . 0.425 ' HA ' HH11 ' E' ' 13' ' ' ARG . 15.6 m -61.02 -33.21 72.91 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.5 86.77 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' E' ' 12' ' ' ILE . 31.4 mm -64.68 -42.51 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.01 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.425 HH11 ' HA ' ' E' ' 10' ' ' SER . 84.4 mtt85 -59.31 -40.58 86.67 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.072 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -65.23 -37.24 86.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.734 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.07 -14.44 57.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.181 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 24.4 p -93.17 -34.24 13.69 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -72.49 -36.2 68.37 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.845 -179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 39.7 pt -64.2 -21.32 28.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.722 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.24 -3.47 21.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.268 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -121.14 83.18 38.33 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.013 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.86 -21.62 64.14 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.437 2.091 . . . . 0.0 110.82 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.18 -31.89 70.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.905 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -62.54 -51.76 66.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.733 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.404 ' HB3' HD22 ' E' ' 27' ' ' ASN . . . 175.45 95.46 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.25 -33.48 71.08 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -58.4 -42.25 86.71 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.404 HD22 ' HB3' ' E' ' 24' ' ' ALA . 68.8 m-20 -64.81 -41.26 95.92 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.416 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.27 -43.35 95.1 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -61.79 -40.01 93.7 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.759 -1.564 . . . . 0.0 109.144 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.2 -45.64 83.93 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.837 -1.074 . . . . 0.0 110.498 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.77 -43.48 79.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.98 -48.27 82.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.693 0.283 . . . . 0.0 110.515 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.85 -44.23 89.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.196 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -62.28 -48.5 79.6 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.939 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -63.04 -40.71 98.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.562 ' CB ' HD13 ' D' ' 37' ' ' LEU . 3.8 m -63.38 -44.64 94.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.766 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.551 HD13 ' CB ' ' A' ' 36' ' ' CYS . 26.9 mt -61.78 -39.07 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.386 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 6.1 mm -62.32 -42.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.42 -40.63 95.11 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.516 HD12 HG22 ' D' ' 40' ' ' ILE . 36.3 mm -63.65 -42.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' A' ' 40' ' ' ILE . 70.9 m -61.57 -44.56 96.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.703 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 67.9 mt -63.25 -40.79 98.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' D' ' 44' ' ' LEU . 19.5 mt -61.24 -42.66 98.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.424 ' HB2' HD13 ' A' ' 43' ' ' LEU . 6.8 mt -64.29 -38.76 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.417 ' O ' HG23 ' E' ' 49' ' ' VAL . 6.2 mm -62.51 -43.06 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 98.4 m -61.52 -38.82 88.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.656 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.414 HD11 HG13 ' D' ' 48' ' ' ILE . 9.8 mm -64.05 -43.52 97.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 88.9 mt -63.38 -41.95 94.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-O 121.434 0.635 . . . . 0.0 109.818 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . 0.417 HG23 ' O ' ' E' ' 45' ' ' ILE . 56.0 t -65.12 -43.73 95.66 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 89.8 mmm -63.57 -41.64 98.37 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.879 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.452 ' C ' HD12 ' E' ' 51' ' ' LEU . 4.5 pp -78.56 -20.37 50.73 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.701 -1.142 . . . . 0.0 110.153 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.5 mtp . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.301 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.67 -11.44 22.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.464 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.6 -28.18 31.25 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.702 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.93 -38.99 90.53 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.535 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.27 -44.89 82.31 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.3 mp -60.18 -40.36 89.69 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.461 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 31.3 m -59.86 -49.89 75.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -57.76 -38.74 75.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -62.06 -32.82 73.39 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -65.84 -39.8 91.14 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.277 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mm -60.84 -43.11 94.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -59.68 -43.74 93.91 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.83 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -59.83 -45.13 93.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.7 64.94 1.32 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.9 -60.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 17' ' ' THR . 1.9 p -70.16 -32.4 70.35 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.54 -4.51 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.408 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -138.57 19.15 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.98 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -78.94 166.67 40.69 Favored Pre-proline 0 C--O 1.224 -0.269 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.908 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -66.95 -18.93 52.48 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 121.688 1.592 . . . . 0.0 110.623 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.68 -49.3 75.67 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.845 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.412 HE22 ' CG ' ' B' ' 26' ' ' GLN . 84.7 mt-30 -144.22 150.86 38.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.043 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.72 -66.94 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.236 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -62.12 -40.2 95.1 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.41 ' CG ' HE22 ' E' ' 23' ' ' GLN . 20.6 mt-30 -64.05 -35.79 81.89 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.137 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.2 -38.0 89.43 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.528 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.24 -43.33 99.06 Favored 'General case' 0 CA--C 1.501 -0.914 0 N-CA-C 108.018 -1.104 . . . . 2.15 108.018 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -60.8 -42.35 97.42 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.156 -1.384 . . . . 2.58 107.809 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.58 -49.34 75.64 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 120.26 -0.576 . . . . 2.23 111.849 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.34 -44.89 93.56 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.813 -0.355 . . . . 2.23 111.289 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' CE1' ' SG ' ' A' ' 36' ' ' CYS . 21.3 t80 -57.45 -52.34 65.78 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.958 -0.756 . . . . 2.47 108.958 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 82.6 mt -61.78 -46.02 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.534 -0.466 . . . . 2.27 111.049 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -57.57 -53.14 61.55 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.692 -0.403 . . . . 2.36 110.046 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -57.55 -42.5 83.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.371 -0.377 . . . . 2.56 110.673 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' CE1' ' A' ' 32' ' ' PHE . 96.5 m -65.33 -37.04 85.88 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.203 -0.599 . . . . 1.99 110.776 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' B' ' 36' ' ' CYS . 21.8 mt -60.89 -41.34 95.85 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.19 -0.67 . . . . 2.14 109.19 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 38' ' ' ILE . 29.1 mm -64.13 -43.3 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 109.165 -0.68 . . . . 2.51 109.165 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.32 -42.16 99.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.04 -42.8 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.335 -0.617 . . . . 2.25 109.335 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -61.84 -43.81 98.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 2.32 108.791 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.01 -42.85 99.6 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.682 0.277 . . . . 2.18 110.28 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.17 -42.68 95.49 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.051 -0.722 . . . . 2.35 109.051 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.992 -0.549 . . . . 2.31 109.951 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.41 -42.62 96.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.338 -0.616 . . . . 2.12 109.338 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.1 m -60.83 -39.3 88.49 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.427 -0.583 . . . . 2.26 109.427 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -65.13 -41.57 92.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-N 115.953 -0.567 . . . . 2.33 109.92 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.599 HG23 ' SD ' ' B' ' 50' ' ' MET . 77.9 mt -64.01 -43.96 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-O 121.425 0.631 . . . . 2.35 109.32 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.01 -44.2 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.393 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.582 ' SD ' HG23 ' E' ' 48' ' ' ILE . 51.3 mtt -64.35 -39.41 93.83 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.814 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.23 -38.11 89.87 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.742 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.932 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mtp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.66 -23.94 66.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.592 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.95 -9.3 22.92 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -27.94 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.64 -39.55 91.72 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.333 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.46 -41.89 88.39 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.874 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.45 ' N ' HD12 ' B' ' 7' ' ' LEU . 8.2 mp -62.55 -40.06 95.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 31.0 m -61.88 -44.42 96.84 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.7 -39.0 92.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.56 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.49 -33.16 73.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' B' ' 8' ' ' THR . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.328 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.4 mm -61.73 -42.85 95.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.62 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.5 -39.13 89.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.73 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -63.8 -41.56 97.89 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.08 65.68 1.09 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.71 -60.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -70.67 -32.11 69.25 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.94 -4.15 4.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.409 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -139.1 18.79 2.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.031 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.81 166.88 39.39 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.908 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -67.08 -19.12 51.65 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 121.508 1.472 . . . . 0.0 110.705 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -62.27 -49.57 75.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.873 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.403 HE22 ' CG ' ' C' ' 26' ' ' GLN . 85.1 mt-30 -144.14 151.04 39.02 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.138 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' B' ' 28' ' ' LEU . . . -143.75 -67.44 0.34 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.3 -40.78 95.44 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.571 0.545 . . . . 0.0 112.065 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.412 ' CG ' HE22 ' A' ' 23' ' ' GLN . 22.3 mt-30 -63.37 -37.73 88.39 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.35 -35.26 78.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.412 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' B' ' 24' ' ' ALA . 16.9 mt -63.38 -42.87 98.86 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.54 -38.94 91.99 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.006 -1.452 . . . . 0.0 108.553 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.65 -49.98 68.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.645 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.24 -42.87 96.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.877 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.493 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 21.8 t80 -59.53 -49.58 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.071 -0.652 . . . . 0.0 109.594 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -64.22 -43.87 97.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -61.07 -47.92 84.12 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.803 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.4 -42.45 99.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.204 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.493 ' SG ' ' CE1' ' B' ' 32' ' ' PHE . 97.5 m -64.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.653 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' C' ' 36' ' ' CYS . 22.2 mt -59.83 -42.2 93.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.6 mm -63.59 -43.15 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -62.2 -42.53 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.724 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.01 -43.24 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.483 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 97.0 m -62.14 -42.67 99.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.491 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.7 -41.4 99.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.085 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.72 -42.65 99.23 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -63.83 -39.68 94.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.836 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.23 -42.57 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 74.5 m -60.63 -39.59 88.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.673 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -64.84 -42.46 94.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' C' ' 50' ' ' MET . 80.1 mt -63.35 -42.8 97.64 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 121.347 0.594 . . . . 0.0 109.661 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 42.1 t -64.39 -44.46 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.106 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.599 ' SD ' HG23 ' A' ' 48' ' ' ILE . 51.7 mtt -64.03 -39.67 94.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.738 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.87 -38.6 91.7 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.715 179.797 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.81 -23.81 66.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.82 -9.55 22.8 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.63 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -58.88 -28.32 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.58 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.36 -39.44 90.63 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.387 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.76 -41.93 86.94 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.661 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.468 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.3 mp -62.28 -40.21 95.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' C' ' 11' ' ' ALA . 28.5 m -61.56 -44.42 97.06 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.68 -38.92 92.26 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 17.0 m -61.82 -33.11 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' C' ' 8' ' ' THR . . . -66.0 -38.52 88.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.439 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -61.54 -42.76 95.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.71 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.66 -39.12 90.24 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.65 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -63.78 -41.14 98.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.59 65.49 1.06 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.63 -60.09 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -71.01 -32.29 69.04 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.84 -3.95 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.449 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -139.02 18.71 2.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.029 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.85 166.71 40.52 Favored Pre-proline 0 N--CA 1.464 0.25 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.919 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -67.01 -18.99 52.21 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 121.609 1.54 . . . . 0.0 110.774 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -62.3 -49.4 75.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . 0.406 HE22 ' CG ' ' D' ' 26' ' ' GLN . 85.1 mt-30 -144.28 151.36 39.29 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.983 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' C' ' 28' ' ' LEU . . . -144.0 -67.08 0.34 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -61.72 -40.99 97.01 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.487 0.492 . . . . 0.0 112.085 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.403 ' CG ' HE22 ' B' ' 23' ' ' GLN . 21.6 mt-30 -62.97 -37.68 88.08 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 109.946 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.55 -35.53 79.74 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.321 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' C' ' 24' ' ' ALA . 16.4 mt -63.02 -42.92 99.91 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.57 -38.79 91.45 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 113.965 -1.471 . . . . 0.0 108.611 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.73 -49.94 68.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.696 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -43.07 96.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.879 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 21.7 t80 -59.61 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.08 -0.648 . . . . 0.0 109.644 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.97 -43.76 97.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.98 -48.23 82.77 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.836 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.31 -42.41 99.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.088 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' C' ' 32' ' ' PHE . 96.9 m -64.6 -38.11 89.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' D' ' 36' ' ' CYS . 22.3 mt -60.0 -41.67 92.62 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.86 -43.11 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 77.4 mt -62.27 -42.42 99.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.793 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 32.7 mm -63.08 -43.06 98.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.7 m -62.1 -42.49 99.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.555 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.05 -41.4 99.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.19 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.68 -42.89 99.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.7 -39.76 95.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.811 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.23 -42.72 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 75.5 m -60.51 -39.55 88.18 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.91 -42.54 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.877 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.593 HG23 ' SD ' ' D' ' 50' ' ' MET . 79.4 mt -63.35 -42.72 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-O 121.411 0.624 . . . . 0.0 109.745 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.29 -44.66 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.044 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' B' ' 48' ' ' ILE . 52.4 mtt -63.81 -39.71 94.89 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.753 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.95 -38.04 89.61 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.655 179.741 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.67 -23.83 66.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.87 -9.24 23.09 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.66 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.25 -28.34 39.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.542 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -61.25 -39.35 90.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.466 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -66.69 -42.04 87.11 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.684 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.472 HD12 ' N ' ' D' ' 7' ' ' LEU . 8.3 mp -62.18 -40.29 95.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' D' ' 11' ' ' ALA . 28.3 m -61.6 -44.81 96.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.34 -38.61 90.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.682 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -61.88 -33.06 73.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' D' ' 8' ' ' THR . . . -66.21 -38.51 88.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.393 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mm -61.52 -42.78 95.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.911 -1.041 . . . . 0.0 108.61 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -61.65 -39.32 90.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.68 -41.05 98.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.72 65.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.51 -59.72 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -71.41 -32.24 68.17 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -72.72 -4.16 4.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.408 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -138.83 18.73 2.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.063 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.67 166.78 40.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.988 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -67.07 -18.99 51.82 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 121.709 1.606 . . . . 0.0 110.645 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -62.53 -49.41 75.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.708 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . 0.408 HE22 ' CG ' ' E' ' 26' ' ' GLN . 85.1 mt-30 -144.21 151.21 39.16 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' D' ' 28' ' ' LEU . . . -144.02 -67.23 0.34 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -61.57 -40.93 96.49 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.54 0.525 . . . . 0.0 111.959 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.406 ' CG ' HE22 ' C' ' 23' ' ' GLN . 21.4 mt-30 -63.08 -37.73 88.38 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.059 0.457 . . . . 0.0 110.057 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.48 -35.65 80.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.158 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' D' ' 24' ' ' ALA . 16.5 mt -62.88 -43.04 99.86 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.43 -38.95 91.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.009 -1.45 . . . . 0.0 108.599 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -64.55 -50.01 69.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.12 -42.94 96.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.782 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' D' ' 36' ' ' CYS . 21.5 t80 -59.65 -49.62 77.04 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.665 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.97 -43.79 97.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -61.06 -48.1 83.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -62.33 -42.28 99.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.161 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.509 ' SG ' ' CE1' ' D' ' 32' ' ' PHE . 95.5 m -64.57 -38.15 90.0 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' E' ' 36' ' ' CYS . 22.4 mt -59.9 -41.74 92.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' D' ' 38' ' ' ILE . 29.3 mm -63.94 -43.12 97.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.32 -42.38 99.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.681 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 32.6 mm -63.04 -43.15 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.31 -42.38 99.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.47 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.79 -41.59 99.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.213 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 25.9 mt -61.73 -42.81 99.46 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -63.73 -39.67 94.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.854 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.25 -42.63 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -60.72 -39.39 88.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.592 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.97 -42.44 94.75 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.82 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.59 HG23 ' SD ' ' E' ' 50' ' ' MET . 79.5 mt -63.47 -42.87 97.75 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-O 121.481 0.658 . . . . 0.0 109.723 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.19 -44.45 97.5 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.593 ' SD ' HG23 ' C' ' 48' ' ' ILE . 52.0 mtt -63.9 -39.7 94.79 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.845 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.89 -38.33 90.68 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.678 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.643 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.64 -23.68 66.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.446 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.06 -9.23 22.86 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -59.13 -28.65 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.544 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -61.22 -39.06 88.85 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -66.93 -42.15 85.83 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.67 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.475 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.3 mp -62.25 -39.98 94.67 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' E' ' 11' ' ' ALA . 29.6 m -61.61 -44.75 96.41 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.62 -39.21 93.06 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.422 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -61.24 -33.18 73.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' E' ' 8' ' ' THR . . . -66.15 -38.39 87.98 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.402 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.57 -42.71 95.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.657 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -61.63 -39.51 91.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.693 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -63.32 -41.44 98.92 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.28 65.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.8 -60.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . 0.405 HG23 ' H ' ' E' ' 17' ' ' THR . 2.1 p -71.09 -31.78 68.23 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.13 -4.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.374 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -138.87 18.79 2.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.033 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.72 166.71 40.66 Favored Pre-proline 0 C--O 1.223 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.01 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.96 -18.96 52.46 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.645 1.563 . . . . 0.0 110.835 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -62.51 -49.78 74.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.698 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . 0.41 HE22 ' CG ' ' A' ' 26' ' ' GLN . 84.9 mt-30 -143.83 151.25 39.67 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.121 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' E' ' 28' ' ' LEU . . . -144.07 -67.1 0.34 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -61.83 -40.35 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.518 0.511 . . . . 0.0 111.932 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.408 ' CG ' HE22 ' D' ' 23' ' ' GLN . 22.0 mt-30 -63.48 -37.77 88.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.042 0.449 . . . . 0.0 109.996 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -62.45 -35.31 78.89 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.401 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' E' ' 28' ' ' LEU . 17.0 mt -63.26 -42.87 99.21 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -62.6 -38.98 92.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 113.977 -1.465 . . . . 0.0 108.576 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -64.48 -50.07 68.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.709 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.3 -43.01 96.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.8 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.496 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 21.8 t80 -59.45 -49.48 77.64 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.6 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.217 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -60.98 -48.12 83.29 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -62.34 -42.39 99.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.501 ' HB3' HD22 ' D' ' 37' ' ' LEU . 97.9 m -64.53 -38.34 90.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 36' ' ' CYS . 22.0 mt -59.85 -41.97 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 29.1 mm -63.75 -43.07 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.3 -42.46 99.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.749 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 32.4 mm -63.04 -43.14 98.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.17 -42.59 99.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.428 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 33.7 mt -62.78 -41.57 99.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 24.8 mt -61.58 -42.75 99.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 mt -63.69 -39.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.693 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 5.5 mm -62.01 -42.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 74.7 m -60.65 -39.61 88.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.6 mm -64.87 -42.44 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.878 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.582 HG23 ' SD ' ' A' ' 50' ' ' MET . 79.2 mt -63.32 -42.88 97.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-O 121.398 0.618 . . . . 0.0 109.676 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.29 -44.31 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.22 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.59 ' SD ' HG23 ' D' ' 48' ' ' ILE . 51.8 mtt -63.98 -39.83 95.01 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.791 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.73 -38.35 90.78 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 117.765 -1.112 . . . . 0.0 109.737 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.43 -43.93 8.14 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.95 -44.34 85.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.94 0.876 . . . . 0.0 109.737 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -61.97 -24.77 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 CA-C-N 113.932 -1.485 . . . . 0.0 110.128 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -65.91 -38.6 89.14 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.19 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 31.7 m-85 -65.11 -42.28 94.12 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.7 mp -62.86 -43.24 99.32 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 89.4 m -59.36 -44.39 92.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.83 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -64.0 -39.86 95.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.504 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -61.48 -32.33 72.33 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 8' ' ' THR . . . -65.03 -41.72 95.02 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mm -64.93 -43.18 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.212 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.36 -43.94 98.02 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.181 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 18' ' ' ILE . 71.5 ttp85 -65.15 -44.56 88.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.045 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.16 82.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.964 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.6 p -79.49 -26.56 41.59 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -44.47 63.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.251 -1.34 . . . . 0.0 112.36 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.448 HG23 ' O ' ' A' ' 14' ' ' ARG . 39.3 pt -68.39 -9.79 11.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.78 0.324 . . . . 0.0 111.005 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -129.35 14.12 6.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.758 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.5 tpp -55.2 125.68 58.7 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.454 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.27 -157.01 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.277 1.985 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.556 ' HA ' HD21 ' A' ' 28' ' ' LEU . 98.3 mt-30 -72.5 62.77 0.55 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.173 0.511 . . . . 0.0 111.12 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -67.67 -40.47 84.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.486 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.67 155.65 1.35 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.915 -1.039 . . . . 0.0 108.339 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -56.35 -32.4 64.67 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.295 -0.562 . . . . 0.0 109.681 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -65.89 -43.14 89.16 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.035 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -62.08 -50.25 72.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.622 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD21 ' HA ' ' A' ' 22' ' ' GLN . 23.2 mt -61.45 -43.21 99.27 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 109.029 -0.73 . . . . 1.9 109.029 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' A' ' 33' ' ' ILE . 53.7 tt0 -56.56 -37.94 71.24 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.832 -1.531 . . . . 2.38 108.924 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -66.12 -41.29 90.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 2.49 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.64 -48.14 70.36 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 119.689 -0.804 . . . . 2.44 111.306 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -57.92 -55.6 32.87 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.163 -0.615 . . . . 2.62 109.903 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.473 HG22 HD12 ' A' ' 37' ' ' LEU . 88.5 mt -61.15 -44.72 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 CA-C-N 115.883 -0.599 . . . . 2.34 112.331 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.75 -49.15 76.15 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 119.241 -0.984 . . . . 2.24 110.01 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' ILE . 12.1 m-30 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.185 -0.606 . . . . 2.59 110.608 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.5 m -66.41 -37.61 85.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.223 -0.591 . . . . 2.33 110.746 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.473 HD12 HG22 ' A' ' 33' ' ' ILE . 21.9 mt -63.45 -40.09 96.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.149 -0.478 . . . . 2.02 109.871 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' PHE . 22.9 mt -63.22 -43.74 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.036 0 N-CA-C 108.477 -0.935 . . . . 2.29 108.477 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.2 -41.31 96.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.228 -0.442 . . . . 2.35 110.122 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 37' ' ' LEU . 24.7 mt -63.64 -43.56 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 N-CA-C 109.437 -0.579 . . . . 2.31 109.437 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.71 -45.21 94.94 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.73 -0.841 . . . . 2.37 108.73 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.1 mt -61.69 -42.23 98.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.761 -0.459 . . . . 2.22 109.761 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' E' ' 44' ' ' LEU . 19.2 mt -60.39 -42.34 95.68 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.384 -0.599 . . . . 2.28 109.384 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' HB2' HD13 ' B' ' 43' ' ' LEU . 13.0 mt -63.82 -41.17 97.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.35 0.595 . . . . 2.49 109.654 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.8 mm -64.23 -43.92 97.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.819 -0.628 . . . . 2.42 109.588 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.8 m -61.3 -36.91 81.37 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.394 -0.821 . . . . 2.37 109.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.26 -40.5 88.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.628 -0.714 . . . . 2.37 110.588 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.2 -42.21 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 108.872 -0.788 . . . . 2.44 108.872 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.83 -45.97 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.539 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -62.68 -40.75 98.06 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.911 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.96 -42.25 94.77 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.068 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.48 -43.71 8.22 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.978 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.33 -43.91 84.8 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-O 121.896 0.855 . . . . 0.0 109.832 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.25 -24.7 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 CA-C-N 113.984 -1.462 . . . . 0.0 110.224 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 0.0 OUTLIER -66.1 -38.76 89.03 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.403 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 31.7 m-85 -64.82 -42.16 95.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.47 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.7 mp -63.97 -40.84 97.33 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' B' ' 11' ' ' ALA . 82.8 m -61.72 -43.88 98.0 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -63.94 -40.07 95.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.612 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.7 p -63.08 -28.81 70.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 8' ' ' THR . . . -67.74 -41.05 84.02 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.1 mm -65.88 -42.99 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.059 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -61.29 -43.79 98.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.019 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.456 ' O ' HG23 ' B' ' 18' ' ' ILE . 71.5 ttp85 -65.76 -43.56 88.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.233 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.12 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.016 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -79.53 -26.56 41.43 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -44.76 62.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.345 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.456 HG23 ' O ' ' B' ' 14' ' ' ARG . 39.6 pt -68.47 -9.81 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.596 0.236 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -128.93 13.84 6.3 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 24.0 tpp -54.94 125.66 56.82 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.24 -156.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.261 1.974 . . . . 0.0 111.274 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . 0.561 ' HA ' HD21 ' B' ' 28' ' ' LEU . 98.4 mt-30 -72.74 62.98 0.6 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.279 0.561 . . . . 0.0 111.068 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.05 -40.26 82.86 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.439 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.74 155.43 1.3 Allowed 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -56.27 -32.36 64.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.567 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -65.46 -43.63 89.73 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.702 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.86 -45.5 92.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' B' ' 22' ' ' GLN . 23.0 mt -65.49 -42.89 91.69 Favored 'General case' 0 CA--C 1.492 -1.274 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' B' ' 33' ' ' ILE . 54.7 tt0 -56.81 -37.96 71.91 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.556 -1.656 . . . . 0.0 108.781 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -65.89 -43.02 89.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.626 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.45 -44.82 86.05 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.13 -0.628 . . . . 0.0 112.078 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.62 -50.96 69.15 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.48 HG22 HD12 ' B' ' 37' ' ' LEU . 85.4 mt -64.63 -44.31 96.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.04 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.7 -47.33 81.58 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.411 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' B' ' 38' ' ' ILE . 12.6 m-30 -60.86 -42.77 98.53 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.119 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 99.1 m -66.46 -38.43 87.33 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.677 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.48 HD12 HG22 ' B' ' 33' ' ' ILE . 22.6 mt -62.46 -40.23 95.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.182 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' B' ' 35' ' ' PHE . 24.1 mt -63.15 -42.91 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.87 -41.46 97.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.878 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 37' ' ' LEU . 25.2 mt -63.61 -43.6 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 98.5 m -62.65 -43.49 98.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.85 -40.84 98.7 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.742 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 44' ' ' LEU . 18.1 mt -62.3 -42.09 99.06 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.473 ' HB2' HD13 ' C' ' 43' ' ' LEU . 13.2 mt -64.01 -41.7 97.38 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.547 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 mm -63.82 -43.62 97.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.632 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.9 m -61.15 -37.18 81.92 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.721 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.52 -42.78 96.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.195 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.05 -42.26 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.474 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -44.5 98.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.026 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.7 mmm -63.91 -41.25 97.72 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.586 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.68 -42.4 95.38 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.56 -43.6 8.24 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.019 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.35 -43.69 85.32 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.848 0.832 . . . . 0.0 109.792 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.48 -24.73 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 CA-C-N 113.971 -1.468 . . . . 0.0 110.147 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -38.82 89.6 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -64.76 -42.34 95.21 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.464 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.6 mp -63.89 -40.92 97.64 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' C' ' 11' ' ' ALA . 83.5 m -61.65 -43.79 98.2 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -63.78 -40.35 96.46 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.507 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 1.7 p -62.75 -29.04 70.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' C' ' 8' ' ' THR . . . -67.65 -40.79 84.52 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.25 -42.74 91.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.073 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.54 -43.77 98.26 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.925 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.463 ' O ' HG23 ' C' ' 18' ' ' ILE . 71.5 ttp85 -65.69 -43.45 89.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.214 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -36.92 83.67 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.99 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 79.7 p -79.4 -26.7 41.88 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -44.65 63.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.317 -1.311 . . . . 0.0 112.362 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.463 HG23 ' O ' ' C' ' 14' ' ' ARG . 39.3 pt -68.41 -10.16 12.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.96 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -128.79 14.09 6.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.725 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 24.0 tpp -55.0 125.61 57.13 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.618 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.26 -156.61 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.295 1.996 . . . . 0.0 111.418 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . 0.565 ' HA ' HD21 ' C' ' 28' ' ' LEU . 98.6 mt-30 -72.99 63.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.192 0.52 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -67.94 -40.47 83.26 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.399 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 156.02 1.41 Allowed 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -56.99 -32.43 66.09 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.578 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.22 -43.7 90.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.666 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.97 -45.32 92.99 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.565 HD21 ' HA ' ' C' ' 22' ' ' GLN . 22.5 mt -65.48 -43.05 91.46 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HG2' HD12 ' C' ' 33' ' ' ILE . 54.5 tt0 -56.62 -37.81 71.22 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 113.376 -1.738 . . . . 0.0 108.808 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.06 -42.65 89.2 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.775 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.79 -44.94 84.22 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.051 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.65 -50.84 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.114 -0.634 . . . . 0.0 110.616 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.492 HG22 HD12 ' C' ' 37' ' ' LEU . 85.1 mt -64.81 -44.25 96.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.851 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.57 -46.95 83.51 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.432 ' HA ' HD12 ' C' ' 38' ' ' ILE . 12.5 m-30 -61.14 -43.08 99.43 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.339 -0.545 . . . . 0.0 110.023 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 99.7 m -66.28 -38.52 88.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.805 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.492 HD12 HG22 ' C' ' 33' ' ' ILE . 22.2 mt -62.57 -40.12 95.83 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.033 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' C' ' 35' ' ' PHE . 23.4 mt -63.33 -42.76 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.89 -41.44 97.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.472 HD12 ' HA ' ' C' ' 37' ' ' LEU . 24.6 mt -63.75 -43.27 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 97.2 m -62.65 -43.58 98.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.301 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.92 -40.84 98.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.807 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' B' ' 44' ' ' LEU . 18.0 mt -62.28 -41.99 98.96 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.481 ' HB2' HD13 ' D' ' 43' ' ' LEU . 13.2 mt -63.83 -41.76 97.76 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.672 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.95 -43.62 97.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.591 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.54 -36.99 82.16 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.646 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.7 -42.51 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.84 -42.4 95.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.76 -44.61 98.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.125 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.77 -41.25 98.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.519 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.78 -42.48 95.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.66 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.51 -43.71 8.21 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.955 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.26 -43.9 85.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.897 0.856 . . . . 0.0 109.776 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.3 -24.84 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.911 0 CA-C-N 114.04 -1.436 . . . . 0.0 110.076 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 0.0 OUTLIER -65.97 -38.79 89.45 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 31.2 m-85 -64.7 -42.27 95.41 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.469 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.7 mp -63.95 -40.85 97.38 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' D' ' 11' ' ' ALA . 83.2 m -61.59 -43.83 98.14 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -63.85 -39.99 95.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.539 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 1.8 p -62.98 -28.84 70.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' D' ' 8' ' ' THR . . . -67.94 -40.76 83.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -66.19 -42.71 91.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.041 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -61.53 -43.83 98.15 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.454 ' O ' HG23 ' D' ' 18' ' ' ILE . 71.5 ttp85 -65.78 -43.36 89.04 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.122 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.36 84.86 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.996 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.2 p -79.24 -26.78 42.41 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -44.82 63.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.443 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.454 HG23 ' O ' ' D' ' 14' ' ' ARG . 39.0 pt -68.3 -9.91 11.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.967 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.98 14.04 6.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 24.2 tpp -55.06 125.49 57.18 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.06 -156.57 0.05 OUTLIER 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.385 2.057 . . . . 0.0 111.302 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . 0.55 ' HA ' HD21 ' D' ' 28' ' ' LEU . 98.5 mt-30 -72.98 62.91 0.63 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 111.129 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -67.8 -40.63 83.85 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.432 179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.5 155.79 1.44 Allowed 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -56.72 -32.34 65.42 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.607 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.13 -43.96 90.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.763 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -62.75 -45.34 93.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' D' ' 22' ' ' GLN . 23.6 mt -65.77 -42.93 90.26 Favored 'General case' 0 CA--C 1.494 -1.184 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.42 ' HG2' HD12 ' D' ' 33' ' ' ILE . 54.5 tt0 -56.53 -37.89 71.1 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.86 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.94 -42.9 89.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.75 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.71 -44.8 84.97 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.998 -0.681 . . . . 0.0 112.047 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -62.79 -50.93 69.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.593 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.482 HG22 HD12 ' D' ' 37' ' ' LEU . 85.6 mt -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.938 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.82 -46.93 82.87 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.432 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.407 ' HA ' HD12 ' D' ' 38' ' ' ILE . 12.5 m-30 -61.03 -43.17 99.29 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.053 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 99.2 m -66.22 -38.85 88.92 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.712 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.482 HD12 HG22 ' D' ' 33' ' ' ILE . 21.6 mt -62.4 -40.08 95.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.939 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' D' ' 35' ' ' PHE . 23.6 mt -63.33 -42.85 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -61.75 -41.53 97.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.76 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' D' ' 37' ' ' LEU . 24.6 mt -63.52 -43.58 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.147 0.499 . . . . 0.0 109.698 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 95.2 m -62.46 -43.67 98.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.334 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.84 -40.99 99.14 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' C' ' 44' ' ' LEU . 18.3 mt -62.09 -42.21 98.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.486 ' HB2' HD13 ' E' ' 43' ' ' LEU . 13.2 mt -63.7 -41.75 98.06 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.726 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 9.7 mm -63.86 -43.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.692 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 87.9 m -61.18 -37.3 82.46 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.741 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.36 -42.82 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.138 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.62 -42.62 96.7 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.617 0.722 . . . . 0.0 109.126 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.77 -44.54 98.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.098 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mmm -63.85 -41.26 97.83 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.505 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.77 -42.38 95.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 114.871 -1.058 . . . . 0.0 109.574 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.91 -43.75 8.04 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.28 -43.77 85.45 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.853 0.835 . . . . 0.0 109.874 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 m -62.32 -24.75 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 113.914 -1.493 . . . . 0.0 110.082 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 0.0 OUTLIER -66.05 -38.75 89.15 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 31.2 m-85 -64.91 -42.15 94.99 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.464 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -63.97 -40.94 97.54 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' E' ' 11' ' ' ALA . 82.4 m -61.63 -43.68 98.41 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . . . . . . . . . 93.1 mtt-85 -63.91 -40.01 95.5 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.519 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -62.98 -28.89 70.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.28 0.562 . . . . 0.0 109.518 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' E' ' 8' ' ' THR . . . -67.75 -40.74 84.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mm -66.31 -42.91 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.021 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -61.4 -43.84 98.18 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.097 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.459 ' O ' HG23 ' E' ' 18' ' ' ILE . 71.6 ttp85 -65.78 -43.45 88.74 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.158 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.87 83.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.84 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -79.59 -26.47 41.25 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -44.77 63.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.464 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.459 HG23 ' O ' ' E' ' 14' ' ' ARG . 39.6 pt -68.32 -9.68 11.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.951 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.17 14.19 6.19 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 24.1 tpp -55.14 125.47 57.61 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.71 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.08 -156.69 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.281 1.987 . . . . 0.0 111.394 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . 0.552 ' HA ' HD21 ' E' ' 28' ' ' LEU . 98.3 mt-30 -72.97 63.06 0.64 Allowed 'General case' 0 C--O 1.224 -0.242 0 CA-C-O 121.261 0.553 . . . . 0.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -68.18 -40.33 82.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.402 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.66 155.71 1.36 Allowed 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -56.77 -32.45 65.63 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -65.06 -43.69 91.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.888 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -63.12 -45.21 93.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' E' ' 22' ' ' GLN . 23.7 mt -65.51 -42.97 91.51 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.415 ' HG2' HD12 ' E' ' 33' ' ' ILE . 54.8 tt0 -56.67 -37.91 71.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.931 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.94 -42.9 89.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.622 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.67 -44.73 85.39 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.084 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -62.71 -50.95 69.1 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.535 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.488 HG22 HD12 ' E' ' 37' ' ' LEU . 85.9 mt -64.52 -44.44 96.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.93 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -63.75 -46.98 82.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.465 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.424 ' HA ' HD12 ' E' ' 38' ' ' ILE . 12.5 m-30 -61.0 -43.06 99.42 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 98.7 m -66.19 -38.73 88.72 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.488 HD12 HG22 ' E' ' 33' ' ' ILE . 22.6 mt -62.5 -39.92 95.07 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' E' ' 35' ' ' PHE . 23.8 mt -63.58 -42.75 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.94 -41.19 97.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.914 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' E' ' 37' ' ' LEU . 25.3 mt -63.85 -43.47 97.84 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 97.3 m -62.61 -43.61 98.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.364 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 60.7 mt -62.9 -40.9 98.97 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' D' ' 44' ' ' LEU . 18.2 mt -62.13 -42.23 99.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' A' ' 43' ' ' LEU . 13.3 mt -63.98 -41.63 97.47 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.535 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 9.6 mm -63.96 -43.57 97.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 87.4 m -61.21 -37.34 82.64 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.824 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mm -64.27 -42.79 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.105 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.96 -42.57 96.15 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.418 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.63 -44.59 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.98 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 78.1 mmm -63.87 -41.08 97.84 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.512 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.88 -42.07 95.11 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.218 -0.578 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.471 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.517 ' O ' HG12 ' A' ' 4' ' ' VAL . 44.3 ttp . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.31 -2.46 28.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.919 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.46 -38.98 93.23 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-O 121.624 0.726 . . . . 0.0 109.082 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 1' ' ' MET . 8.3 p -56.59 -27.86 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.435 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.07 -37.44 87.46 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.052 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -67.13 -44.84 78.82 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 120.104 -0.638 . . . . 0.0 109.689 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.0 mp -61.71 -41.32 97.45 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 m -60.54 -45.74 92.73 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.58 ' HA ' HD12 ' A' ' 12' ' ' ILE . 73.3 ttt180 -60.33 -42.98 96.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.695 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -59.94 -34.06 72.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.469 0.652 . . . . 0.0 109.366 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.38 82.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.095 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.5 mt -64.43 -42.04 94.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.536 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.444 HH21 ' CZ ' ' A' ' 9' ' ' ARG . 99.7 mtt180 -60.24 -42.94 96.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.686 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.46 -40.74 89.56 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.108 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.49 80.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 t -60.48 -42.29 95.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.616 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -81.17 -26.27 36.16 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.421 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -26.16 25.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.084 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.31 5.53 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.826 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.7 ttm -49.91 113.38 3.35 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -77.14 164.52 29.26 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.201 1.934 . . . . 0.0 110.472 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.73 100.59 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.02 -42.94 93.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.274 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.29 166.38 8.74 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -59.5 -32.96 70.76 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 0.0 110.085 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -63.7 -40.37 96.63 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.742 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.32 -43.8 96.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.65 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 13.5 mt -61.24 -42.93 99.46 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.858 -0.793 . . . . 2.17 108.858 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.63 -38.98 92.34 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 113.875 -1.511 . . . . 2.61 108.168 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.63 -47.86 81.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.909 -0.587 . . . . 2.2 110.578 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.13 -45.18 89.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.489 -0.485 . . . . 2.27 111.167 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -57.75 -52.78 64.06 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.819 -0.753 . . . . 2.55 109.241 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -45.4 98.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.7 -0.4 . . . . 2.28 111.492 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -58.29 -52.43 65.63 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.378 -0.529 . . . . 2.38 110.259 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -59.33 -42.89 92.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.958 -0.564 . . . . 2.55 110.293 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.555 ' HB3' HD22 ' E' ' 37' ' ' LEU . 20.8 m -64.44 -38.98 92.92 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.275 -0.57 . . . . 2.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' B' ' 36' ' ' CYS . 19.7 mt -61.83 -41.94 98.4 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.582 -0.525 . . . . 2.21 109.582 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -64.26 -44.32 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 115.727 -0.67 . . . . 2.54 109.342 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -63.01 -41.2 99.5 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.335 -0.393 . . . . 2.23 110.509 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.65 -43.12 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.871 -0.789 . . . . 2.21 108.871 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 87.6 m -62.52 -41.43 98.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.133 -0.94 . . . . 2.35 109.113 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 45' ' ' ILE . 31.4 mt -62.44 -42.75 99.68 Favored 'General case' 0 CA--C 1.515 -0.393 0 C-N-CA 120.782 -0.367 . . . . 2.17 110.106 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.79 -41.74 98.11 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.726 -0.472 . . . . 2.3 109.726 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -62.69 -40.83 98.34 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.017 -0.735 . . . . 2.45 109.017 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.1 mt -64.94 -42.86 95.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.609 -0.723 . . . . 2.21 109.283 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.1 m -62.66 -34.95 78.14 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.645 -0.707 . . . . 2.27 109.799 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' E' ' 48' ' ' ILE . 12.5 mt -66.68 -40.21 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-O 121.33 0.586 . . . . 2.4 110.663 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' CG1' HG13 ' B' ' 47' ' ' ILE . 75.0 mt -66.95 -42.42 88.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.124 -0.944 . . . . 2.18 110.118 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.84 -48.18 72.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.263 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.43 ' HB3' HD22 ' E' ' 52' ' ' LEU . 81.1 mmm -62.81 -46.94 85.61 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.229 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.06 -39.39 79.17 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.691 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' B' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.218 -0.577 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.761 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.512 ' O ' HG12 ' B' ' 4' ' ' VAL . 44.6 ttp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -75.19 -2.92 30.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.066 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.91 -36.62 84.53 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.512 HG12 ' O ' ' B' ' 1' ' ' MET . 8.9 p -58.75 -27.39 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.597 -1.183 . . . . 0.0 110.473 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.39 -37.04 86.12 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.267 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.05 -43.2 79.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.808 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.472 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.9 mp -62.95 -41.62 99.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.542 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 71.1 m -61.19 -43.0 99.57 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' B' ' 12' ' ' ILE . 73.3 ttt180 -62.8 -42.82 99.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.314 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -60.16 -33.97 72.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.292 0.568 . . . . 0.0 109.591 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.14 82.04 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.025 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.9 mt -64.56 -42.21 94.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.366 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.435 HH21 ' CZ ' ' B' ' 9' ' ' ARG . 99.7 mtt180 -60.29 -42.55 95.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.71 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.76 -40.87 88.41 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.982 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 11.1 t -60.61 -42.53 97.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.503 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.2 t -80.69 -26.23 37.65 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.741 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.86 -25.76 24.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.078 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.92 5.73 28.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.825 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 11.9 ttm -50.32 113.34 3.46 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.051 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.08 164.35 29.63 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.255 1.97 . . . . 0.0 110.56 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.51 100.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -65.17 -42.21 93.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.455 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.78 166.77 7.81 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -60.29 -32.81 71.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.71 -40.04 95.79 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.86 -39.25 91.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.05 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.88 -43.27 93.46 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.02 -35.27 79.66 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.966 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -65.08 -48.52 73.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.692 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.56 -43.43 93.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.628 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.408 ' CE1' ' SG ' ' B' ' 36' ' ' CYS . 9.3 t80 -60.1 -49.53 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.939 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -43.32 94.84 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.619 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -60.85 -49.52 77.15 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.45 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.41 99.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.104 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD22 ' A' ' 37' ' ' LEU . 20.8 m -64.16 -39.68 94.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' C' ' 36' ' ' CYS . 20.5 mt -61.19 -42.0 97.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 23.9 mt -64.27 -43.65 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.48 -40.79 98.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.96 -43.52 99.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 89.8 m -62.71 -41.32 99.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.555 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' B' ' 45' ' ' ILE . 31.5 mt -62.06 -41.72 98.44 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.243 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.3 -41.65 98.97 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.0 -41.34 99.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.9 mt -64.6 -43.53 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 86.7 m -61.38 -35.86 78.66 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.858 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.406 HG13 ' CG1' ' A' ' 48' ' ' ILE . 12.8 mt -65.42 -43.34 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-O 121.109 0.481 . . . . 0.0 109.921 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.417 ' CG1' HG13 ' C' ' 47' ' ' ILE . 75.4 mt -64.28 -43.21 97.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.147 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -68.22 -46.66 80.73 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.856 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.451 ' HB3' HD13 ' A' ' 52' ' ' LEU . 80.9 mmm -63.42 -47.72 80.78 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.713 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.07 -39.21 79.22 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.959 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' C' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.714 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.504 ' O ' HG12 ' C' ' 4' ' ' VAL . 44.6 ttp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -75.35 -2.85 30.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.963 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.91 -36.91 85.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.438 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.504 HG12 ' O ' ' C' ' 1' ' ' MET . 8.8 p -58.6 -27.21 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.52 -37.07 86.26 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.196 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -67.92 -43.32 79.49 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.799 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.461 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.9 mp -62.74 -41.78 99.35 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.55 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 72.1 m -61.12 -42.89 99.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.575 ' HA ' HD12 ' C' ' 12' ' ' ILE . 73.8 ttt180 -62.68 -42.9 99.87 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.334 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.28 -33.81 72.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.351 0.596 . . . . 0.0 109.592 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.16 -41.3 81.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.095 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.6 mt -64.45 -42.2 94.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.589 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . 0.45 HH21 ' CZ ' ' C' ' 9' ' ' ARG . 99.7 mtt180 -60.16 -42.85 95.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.43 -41.03 89.78 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.954 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.72 81.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 11.6 t -60.48 -42.56 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.503 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.67 -26.45 37.59 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.689 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.71 -25.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.194 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.83 5.56 28.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.771 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 11.9 ttm -50.27 113.44 3.53 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.099 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.15 164.31 29.5 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 122.331 2.02 . . . . 0.0 110.535 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.39 100.74 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -65.35 -42.54 92.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.343 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.56 166.51 8.23 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -60.04 -32.9 71.34 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.405 0.441 . . . . 0.0 109.995 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.63 -40.05 95.91 Favored 'General case' 0 CA--C 1.507 -0.709 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.76 -39.49 91.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.942 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 15.7 mt -64.71 -43.15 94.36 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.17 -35.45 80.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 113.693 -1.594 . . . . 0.0 109.051 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.88 -48.65 73.47 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.622 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.51 -43.33 94.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.688 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . 0.403 ' CE1' ' SG ' ' C' ' 36' ' ' CYS . 9.0 t80 -60.31 -49.35 77.96 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.923 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -65.38 -43.56 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.53 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -60.84 -49.5 77.21 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.429 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -62.52 -42.42 99.51 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.115 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.566 ' HB3' HD22 ' B' ' 37' ' ' LEU . 20.0 m -64.2 -39.64 94.41 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.498 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' D' ' 36' ' ' CYS . 20.3 mt -60.97 -41.95 97.39 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.61 -43.64 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.25 -41.04 99.02 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.93 -43.4 98.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 88.6 m -62.78 -41.23 99.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.457 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' C' ' 45' ' ' ILE . 31.6 mt -62.1 -41.97 98.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.161 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.19 -41.61 99.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.01 -41.32 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.0 mt -64.46 -43.66 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.47 -35.38 77.49 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.818 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.417 HG13 ' CG1' ' B' ' 48' ' ' ILE . 12.3 mt -65.86 -43.21 93.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-O 121.085 0.469 . . . . 0.0 109.956 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.405 ' CG1' HG13 ' D' ' 47' ' ' ILE . 76.0 mt -64.33 -43.15 97.09 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.664 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.17 -46.51 81.14 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.893 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.435 ' HB3' HD13 ' B' ' 52' ' ' LEU . 80.5 mmm -63.54 -47.47 81.47 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.724 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.18 -39.39 78.74 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 120.265 -0.574 . . . . 0.0 109.961 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' D' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.219 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.61 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.51 ' O ' HG12 ' D' ' 4' ' ' VAL . 44.6 ttp . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -75.67 -2.64 30.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.42 0.629 . . . . 0.0 109.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.94 -36.94 85.59 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.642 0.734 . . . . 0.0 109.507 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.51 HG12 ' O ' ' D' ' 1' ' ' MET . 8.9 p -58.56 -27.36 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.42 -37.17 86.58 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.114 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -67.82 -43.32 79.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.861 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.466 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.9 mp -62.71 -41.76 99.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.625 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.6 m -61.08 -43.15 99.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' D' ' 12' ' ' ILE . 73.4 ttt180 -62.6 -42.82 99.8 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.405 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -60.22 -34.05 73.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.412 0.625 . . . . 0.0 109.642 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.07 82.59 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.091 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.3 mt -64.54 -42.24 94.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.523 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . 0.444 HH21 ' CZ ' ' D' ' 9' ' ' ARG . 99.7 mtt180 -60.14 -42.85 95.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.532 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.44 -41.03 89.73 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.032 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.74 81.92 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -60.45 -42.7 96.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.481 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.57 -26.49 37.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.579 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.66 -25.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.129 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.66 5.68 29.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.816 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -50.26 113.43 3.52 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.097 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 164.34 29.65 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.179 1.919 . . . . 0.0 110.61 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -57.36 100.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.3 -42.73 92.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.417 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.34 166.54 8.62 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -59.92 -33.0 71.29 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.991 0.424 . . . . 0.0 109.994 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -63.49 -40.0 95.94 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -61.87 -39.54 92.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.021 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' D' ' 28' ' ' LEU . 16.1 mt -64.82 -42.97 94.54 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.41 -35.17 79.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.028 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -65.16 -48.66 72.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.529 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.43 -43.47 94.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.712 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -60.23 -49.29 78.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.014 -0.674 . . . . 0.0 109.895 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 83.9 mt -65.44 -43.62 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.434 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -60.69 -49.39 77.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -62.47 -42.47 99.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.148 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.564 ' HB3' HD22 ' C' ' 37' ' ' LEU . 20.5 m -64.18 -39.57 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' E' ' 36' ' ' CYS . 20.3 mt -61.16 -41.98 97.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 24.9 mt -64.51 -43.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.26 -41.02 98.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.88 -43.54 98.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.69 -41.27 99.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.541 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' D' ' 45' ' ' ILE . 31.2 mt -62.06 -41.88 98.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.183 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.25 -41.59 99.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.1 -41.33 99.35 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' D' ' 42' ' ' LEU . 24.9 mt -64.53 -43.5 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 86.2 m -61.44 -35.33 77.26 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.879 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.405 HG13 ' CG1' ' C' ' 48' ' ' ILE . 12.2 mt -66.01 -43.24 92.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.232 0.539 . . . . 0.0 110.058 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' E' ' 47' ' ' ILE . 77.0 mt -64.14 -43.23 97.37 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.098 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 55.4 t -68.34 -46.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.102 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.912 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.43 ' HB3' HD13 ' C' ' 52' ' ' LEU . 80.6 mmm -63.75 -47.24 81.82 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.682 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.25 -39.48 78.44 Favored 'General case' 0 CA--C 1.511 -0.55 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.88 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' E' ' 50' ' ' MET . 1.5 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.511 ' O ' HG12 ' E' ' 4' ' ' VAL . 44.5 ttp . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -75.18 -2.97 30.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.424 0.63 . . . . 0.0 110.051 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.9 -36.75 84.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.476 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.511 HG12 ' O ' ' E' ' 1' ' ' MET . 8.6 p -58.62 -27.22 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -64.53 -36.94 85.84 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 119.744 -0.782 . . . . 0.0 109.196 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -68.08 -43.27 78.92 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.819 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.467 ' N ' HD12 ' E' ' 7' ' ' LEU . 8.0 mp -62.74 -41.63 99.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.603 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 71.5 m -61.25 -42.95 99.51 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' E' ' 12' ' ' ILE . 73.1 ttt180 -62.81 -42.78 99.86 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.336 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -34.04 73.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.435 0.636 . . . . 0.0 109.515 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.06 -41.26 82.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.1 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.3 mt -64.55 -42.25 94.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.396 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . 0.433 HH21 ' CZ ' ' E' ' 9' ' ' ARG . 99.7 mtt180 -60.1 -42.95 95.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.34 -40.93 90.16 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.042 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.35 -35.74 81.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 11.4 t -60.36 -42.77 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.533 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 3.1 t -80.72 -26.35 37.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.561 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.64 -25.65 24.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.069 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -106.88 5.71 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.846 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.0 ttm -50.23 113.28 3.37 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.064 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.97 164.34 29.87 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.186 1.924 . . . . 0.0 110.58 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -57.34 100.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.22 -42.53 93.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.474 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -170.43 166.74 8.44 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -60.32 -32.8 71.57 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.971 0.415 . . . . 0.0 109.991 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -63.53 -40.08 96.09 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -61.88 -39.36 91.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.84 -43.32 93.44 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -63.02 -35.2 79.44 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 113.674 -1.603 . . . . 0.0 108.999 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -65.03 -48.57 73.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.647 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -43.25 94.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.74 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . 0.413 ' CE1' ' SG ' ' E' ' 36' ' ' CYS . 9.2 t80 -60.41 -49.39 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.035 -0.666 . . . . 0.0 109.866 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.36 -43.51 94.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.533 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -60.79 -49.4 77.63 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.58 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.044 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.565 ' HB3' HD22 ' D' ' 37' ' ' LEU . 20.0 m -63.93 -39.76 94.89 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.655 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 36' ' ' CYS . 20.6 mt -61.18 -42.16 98.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 24.3 mt -64.07 -43.73 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -63.37 -40.91 98.53 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.288 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mm -63.06 -43.59 99.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 88.2 m -62.62 -41.43 99.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.554 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' E' ' 45' ' ' ILE . 32.0 mt -61.89 -41.72 98.22 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.244 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.38 -41.39 98.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.2 mt -64.39 -43.68 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 84.8 m -61.39 -35.61 77.97 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.411 HG13 ' CG1' ' D' ' 48' ' ' ILE . 12.1 mt -65.5 -43.52 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.02 0.438 . . . . 0.0 110.023 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.411 ' CG1' HG13 ' A' ' 47' ' ' ILE . 76.7 mt -64.07 -43.09 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.656 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.221 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.38 -46.47 80.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.967 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.426 ' HB3' HD13 ' D' ' 52' ' ' LEU . 80.9 mmm -63.86 -47.24 81.52 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.659 -179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.35 -39.22 78.26 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.936 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.43 HD22 ' HB3' ' A' ' 50' ' ' MET . 1.4 mp . . . . . 0 C--O 1.219 -0.518 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.717 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -95.46 -32.5 12.86 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.212 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.87 -50.17 65.49 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.077 0.941 . . . . 0.0 108.818 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.01 -26.09 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.771 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -65.8 -36.53 83.78 Favored 'General case' 0 N--CA 1.436 -1.163 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.251 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.411 ' N ' ' HG2' ' A' ' 5' ' ' GLN . 17.7 m-85 -67.52 -41.96 83.56 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.9 mp -62.94 -40.57 98.06 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -61.35 -43.61 98.59 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.691 ' HA ' HD12 ' A' ' 12' ' ' ILE . 96.7 mtt180 -62.78 -41.34 99.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.704 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -61.71 -34.58 76.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.902 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.2 93.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.731 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 9' ' ' ARG . 24.1 mt -64.55 -43.73 96.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.824 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.86 -39.92 95.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.422 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -65.67 -43.77 88.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.54 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.72 68.76 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.63 -56.96 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.119 0.485 . . . . 0.0 110.3 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -74.15 -30.37 62.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.13 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 pt -75.46 -13.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.201 0.524 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.34 -15.44 40.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.427 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttt -163.58 60.13 0.87 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.416 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.409 ' HD2' HD21 ' E' ' 27' ' ' ASN . 60.7 Cg_endo -78.24 162.84 28.19 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.347 2.032 . . . . 0.0 110.461 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -58.84 -49.07 79.12 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.966 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.17 -171.08 3.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.608 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' H ' HH12 ' B' ' 25' ' ' ARG . . . 60.61 20.23 10.13 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.151 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.462 HH12 ' H ' ' E' ' 24' ' ' ALA . 99.6 mtt180 -56.67 -41.75 77.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.988 0.423 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.09 -34.4 77.56 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.417 HD21 ' NE ' ' B' ' 25' ' ' ARG . 82.5 m-20 -67.94 -48.4 66.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.121 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 9.4 mt -64.62 -42.58 95.41 Favored 'General case' 0 CA--C 1.484 -1.594 0 N-CA-C 108.815 -0.809 . . . . 1.95 108.815 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -56.87 -40.23 75.78 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 113.586 -1.643 . . . . 1.99 107.795 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -65.59 -37.54 86.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.483 -1.235 . . . . 2.82 111.109 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.72 -48.3 60.01 Favored 'General case' 0 CA--C 1.506 -0.734 0 C-N-CA 120.306 -0.558 . . . . 2.49 110.775 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -59.56 -42.21 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.533 -0.467 . . . . 2.38 111.602 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.6 mt -68.51 -43.62 83.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 2.37 109.919 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.85 -46.21 90.43 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 116.019 -0.537 . . . . 2.19 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.2 t80 -61.8 -45.28 94.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.018 0.437 . . . . 2.39 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.73 -38.73 92.19 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.803 -0.759 . . . . 2.62 109.827 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -65.4 -36.29 83.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.75 -0.659 . . . . 2.05 109.582 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.04 -42.43 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 107.918 -1.142 . . . . 1.92 107.918 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.676 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.6 mt -58.02 -41.59 83.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.762 -0.829 . . . . 2.45 108.762 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.518 HD11 ' SG ' ' E' ' 41' ' ' CYS . 29.4 mm -62.13 -42.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 108.874 -0.787 . . . . 2.35 108.874 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' SG ' HD11 ' B' ' 40' ' ' ILE . 60.4 m -59.58 -50.2 74.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.79 -0.641 . . . . 2.22 109.666 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 45' ' ' ILE . 79.2 mt -61.4 -44.15 97.64 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.022 0.439 . . . . 2.45 111.436 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' E' ' 44' ' ' LEU . 41.7 mt -61.36 -42.4 98.63 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.876 -0.602 . . . . 2.37 110.071 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 44' ' ' LEU . 29.4 mt -62.57 -38.08 88.68 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.557 -0.457 . . . . 2.18 110.0 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.0 mt -60.09 -41.3 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.612 -0.885 . . . . 2.33 108.612 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.7 m -59.4 -38.32 80.26 Favored 'General case' 0 C--O 1.223 -0.317 0 N-CA-C 109.551 -0.537 . . . . 2.28 109.551 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 HG13 ' E' ' 48' ' ' ILE . 46.5 mm -64.69 -41.85 93.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.852 -0.425 . . . . 2.29 109.852 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' B' ' 47' ' ' ILE . 97.4 mt -63.18 -43.68 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 N-CA-C 108.447 -0.946 . . . . 2.8 108.447 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.83 -43.19 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.335 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.72 -38.24 90.32 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.49 -42.04 96.09 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.411 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -95.25 -32.85 12.82 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.273 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.0 -46.84 76.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 122.088 0.947 . . . . 0.0 109.49 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 m -63.15 -26.18 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 113.959 -1.473 . . . . 0.0 110.622 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' B' ' 6' ' ' TYR . 0.6 OUTLIER -65.7 -36.3 83.22 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 119.834 -0.747 . . . . 0.0 109.44 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . 0.419 ' N ' ' HG2' ' B' ' 5' ' ' GLN . 17.7 m-85 -67.67 -41.96 82.92 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.429 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.8 mp -63.07 -40.37 97.46 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 92.9 m -61.71 -42.52 99.06 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.689 ' HA ' HD12 ' B' ' 12' ' ' ILE . 96.7 mtt180 -63.83 -41.58 97.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.388 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.51 -34.61 75.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.967 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.14 93.04 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.683 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' B' ' 9' ' ' ARG . 24.4 mt -64.53 -43.46 96.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.914 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.91 -39.51 94.77 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.349 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.302 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.08 67.76 1.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.66 -56.68 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.066 0.46 . . . . 0.0 110.041 179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -74.08 -30.7 62.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.105 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 pt -75.42 -13.06 15.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.097 0.475 . . . . 0.0 110.118 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -86.77 -15.34 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.51 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -163.68 59.96 0.84 Allowed Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.41 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 27' ' ' ASN . 60.1 Cg_endo -78.03 163.0 28.64 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.343 2.029 . . . . 0.0 110.452 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -58.99 -49.26 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.838 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.11 -170.91 3.66 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.468 ' H ' HH12 ' C' ' 25' ' ' ARG . . . 60.37 21.11 10.68 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.458 HH12 ' H ' ' A' ' 24' ' ' ALA . 99.6 mtt180 -57.74 -41.4 81.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 0.0 110.549 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -36.98 83.91 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.418 HD21 ' NE ' ' C' ' 25' ' ' ARG . 82.7 m-20 -66.49 -46.26 76.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.287 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.58 -43.19 90.5 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -57.44 -38.36 74.31 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.474 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -66.11 -42.06 89.75 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.034 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.91 -44.18 85.96 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -62.47 -46.07 90.16 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.977 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.42 -44.02 94.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.629 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.99 -46.56 88.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.678 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.3 t80 -60.57 -45.62 93.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.511 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.53 -40.86 98.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.109 -0.636 . . . . 0.0 109.645 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 28.4 mt -63.6 -36.41 83.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.899 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mm -61.49 -39.99 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.678 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 94.3 mt -60.35 -41.1 92.93 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.514 HD11 ' SG ' ' A' ' 41' ' ' CYS . 29.5 mm -61.94 -42.93 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' C' ' 40' ' ' ILE . 60.1 m -59.79 -49.61 77.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.018 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.711 ' HA ' HD12 ' B' ' 45' ' ' ILE . 81.6 mt -61.74 -43.33 99.06 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.412 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.408 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 40.4 mt -62.45 -42.52 99.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.998 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.419 ' CD1' HG23 ' C' ' 40' ' ' ILE . 28.6 mt -62.56 -37.5 86.43 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.068 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' B' ' 42' ' ' LEU . 24.6 mt -60.76 -41.29 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.62 -38.15 80.53 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 48' ' ' ILE . 46.8 mm -64.37 -42.59 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' C' ' 47' ' ' ILE . 96.8 mt -62.85 -43.06 98.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.51 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.39 -42.88 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 86.8 mmm -64.84 -38.46 91.05 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.812 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 mt -64.41 -41.91 96.36 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.421 179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.21 -33.06 12.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.296 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -65.92 -46.91 76.55 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.112 0.958 . . . . 0.0 109.469 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 m -63.28 -25.97 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.599 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' C' ' 6' ' ' TYR . 0.6 OUTLIER -65.62 -36.45 83.75 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.447 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . 0.405 ' N ' ' HG2' ' C' ' 5' ' ' GLN . 17.6 m-85 -67.73 -41.87 82.76 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.417 HD12 ' N ' ' C' ' 7' ' ' LEU . 8.0 mp -62.93 -40.64 98.25 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -61.64 -42.65 99.19 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.687 ' HA ' HD12 ' C' ' 12' ' ' ILE . 96.7 mtt180 -63.54 -41.74 98.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.322 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -61.42 -34.69 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.053 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -38.99 92.83 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.435 0.636 . . . . 0.0 109.62 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.6 mt -64.61 -43.65 96.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.971 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.1 -39.36 94.48 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -66.86 -39.62 87.63 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.773 -1.103 . . . . 0.0 113.343 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.95 68.18 1.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.74 -56.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.212 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . 0.42 HG23 ' H ' ' C' ' 17' ' ' THR . 1.3 p -74.08 -30.75 62.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.081 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.04 -13.35 15.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.096 0.474 . . . . 0.0 110.124 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -86.57 -14.92 41.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.808 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -164.16 59.78 0.77 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.519 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.401 ' HD2' HD21 ' B' ' 27' ' ' ASN . 62.2 Cg_endo -77.96 162.86 28.93 Favored 'Trans proline' 0 C--N 1.311 -1.429 0 C-N-CA 122.433 2.089 . . . . 0.0 110.737 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.82 -49.31 78.18 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.921 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -146.96 -170.72 3.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.473 ' H ' ' NH1' ' D' ' 25' ' ' ARG . . . 60.41 20.6 10.23 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.902 179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.468 HH12 ' H ' ' B' ' 24' ' ' ALA . 99.6 mtt180 -57.12 -41.78 79.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.006 0.431 . . . . 0.0 110.533 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -37.45 85.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.502 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.42 HD21 ' NE ' ' D' ' 25' ' ' ARG . 83.0 m-20 -65.99 -46.34 78.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.345 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -65.62 -43.1 90.58 Favored 'General case' 0 CA--C 1.488 -1.406 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -57.54 -38.74 75.21 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 113.271 -1.786 . . . . 0.0 108.579 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.75 -41.91 91.55 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.114 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.1 85.37 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -62.3 -46.37 89.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.009 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.46 -44.13 94.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.482 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.64 -46.41 89.88 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.677 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.2 t80 -60.86 -46.03 92.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.31 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 85.1 m -63.02 -40.9 99.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.079 -0.649 . . . . 0.0 109.706 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -63.51 -36.3 83.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mm -61.61 -40.55 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.677 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 95.3 mt -59.74 -41.22 90.46 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.509 HD11 ' SG ' ' B' ' 41' ' ' CYS . 29.8 mm -61.89 -43.01 96.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' D' ' 40' ' ' ILE . 59.5 m -59.79 -49.44 77.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.054 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.696 ' HA ' HD12 ' C' ' 45' ' ' ILE . 81.8 mt -61.8 -43.33 99.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.384 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.411 ' HB3' ' HB3' ' B' ' 44' ' ' LEU . 41.3 mt -62.64 -42.38 99.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.075 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' C' ' 44' ' ' LEU . 29.0 mt -62.9 -37.19 85.97 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.144 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' C' ' 42' ' ' LEU . 24.5 mt -60.93 -41.52 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 72.6 m -59.49 -38.19 80.25 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' B' ' 48' ' ' ILE . 46.9 mm -64.25 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.432 HG13 HD11 ' D' ' 47' ' ' ILE . 96.5 mt -62.65 -42.93 97.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.35 -42.91 97.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.45 -1.25 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . . . . . . . . . 87.2 mmm -65.02 -38.58 91.38 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.704 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . 8.2 mt -64.37 -42.12 96.36 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.493 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.322 -0.588 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.52 179.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 99.9 mmm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.34 -33.02 12.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.247 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -65.9 -47.17 75.67 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 122.178 0.99 . . . . 0.0 109.504 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 13.7 m -62.77 -26.32 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 113.812 -1.54 . . . . 0.0 110.656 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . 0.406 ' HG2' ' N ' ' D' ' 6' ' ' TYR . 0.6 OUTLIER -65.33 -36.86 85.32 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . 0.406 ' N ' ' HG2' ' D' ' 5' ' ' GLN . 17.5 m-85 -67.35 -41.79 84.55 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.421 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.9 mp -63.21 -40.3 97.08 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 96.3 m -62.0 -42.4 99.11 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.678 ' HA ' HD12 ' D' ' 12' ' ' ILE . 96.7 mtt180 -63.71 -41.64 98.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.283 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -61.52 -34.75 76.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.919 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -39.28 93.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.45 0.643 . . . . 0.0 109.717 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.3 mt -64.24 -43.69 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.837 0 CA-C-N 114.992 -1.003 . . . . 0.0 108.997 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -63.09 -39.22 94.07 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -67.17 -39.45 86.44 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.374 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.93 67.72 1.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.67 -56.62 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.926 0.393 . . . . 0.0 110.161 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.4 HG23 ' H ' ' D' ' 17' ' ' THR . 1.2 p -74.19 -30.36 62.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.149 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 16.8 pt -75.55 -13.16 15.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.201 0.524 . . . . 0.0 110.047 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -86.56 -15.22 40.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.501 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 8.5 ttt -163.91 59.83 0.8 Allowed Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.573 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.91 162.89 29.05 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.36 2.04 . . . . 0.0 110.663 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.68 -49.61 76.91 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -146.6 -170.31 3.48 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . 0.464 ' H ' HH12 ' E' ' 25' ' ' ARG . . . 59.79 21.12 9.95 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.266 -0.879 . . . . 0.0 112.007 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.473 ' NH1' ' H ' ' C' ' 24' ' ' ALA . 99.6 mtt180 -57.48 -41.74 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.941 0.4 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -37.31 85.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.405 HD21 ' NE ' ' E' ' 25' ' ' ARG . 83.0 m-20 -66.24 -46.24 77.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.65 -43.03 90.66 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.72 -38.38 75.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.321 -1.763 . . . . 0.0 108.379 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -66.04 -42.02 90.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.186 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.09 -44.11 85.35 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -62.38 -46.31 89.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.936 -0.705 . . . . 0.0 109.92 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.41 -43.85 94.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.717 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.09 -46.36 89.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.68 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.3 t80 -60.65 -45.86 92.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.384 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 87.3 m -63.55 -40.68 97.63 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.66 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 mt -63.58 -36.15 82.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.034 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.66 -40.46 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.68 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 95.0 mt -59.92 -41.21 91.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.53 HD11 ' SG ' ' C' ' 41' ' ' CYS . 29.2 mm -61.8 -43.04 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.528 ' SG ' HD11 ' E' ' 40' ' ' ILE . 59.7 m -60.01 -49.35 78.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.712 ' HA ' HD12 ' D' ' 45' ' ' ILE . 82.3 mt -62.01 -42.95 99.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.34 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -62.7 -42.33 99.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.076 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' E' ' 40' ' ' ILE . 28.0 mt -62.81 -37.2 85.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.162 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' D' ' 42' ' ' LEU . 25.1 mt -60.89 -41.49 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -59.51 -38.4 80.86 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.432 HD11 HG13 ' C' ' 48' ' ' ILE . 46.6 mm -64.03 -42.65 96.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.425 HG13 HD11 ' E' ' 47' ' ' ILE . 95.9 mt -62.8 -42.79 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.52 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.64 -42.92 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.92 -38.44 90.96 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.22 -42.17 96.71 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.449 -0.475 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.492 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -95.24 -32.86 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.246 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -66.1 -46.89 76.03 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.06 0.933 . . . . 0.0 109.546 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . . . . . . . . . 14.4 m -63.23 -26.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.544 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' E' ' 6' ' ' TYR . 0.6 OUTLIER -65.64 -36.54 83.98 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.376 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . 0.409 ' N ' ' HG2' ' E' ' 5' ' ' GLN . 17.7 m-85 -67.65 -41.99 82.94 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.418 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.8 mp -62.84 -40.49 97.6 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 96.0 m -61.55 -42.41 98.8 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.69 ' HA ' HD12 ' E' ' 12' ' ' ILE . 96.6 mtt180 -64.11 -41.35 97.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.324 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -61.56 -34.92 76.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.973 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.14 93.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.631 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' E' ' 9' ' ' ARG . 24.7 mt -64.54 -43.73 96.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.14 -0.936 . . . . 0.0 108.838 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.92 -39.23 93.94 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.365 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -67.09 -39.39 86.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.304 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.15 68.06 1.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.88 -56.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -74.25 -30.33 62.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.076 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 17.0 pt -75.5 -13.41 15.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.179 0.514 . . . . 0.0 110.044 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.24 -15.52 40.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.487 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 8.6 ttt -163.65 59.96 0.84 Allowed Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.389 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.403 ' HD2' HD21 ' D' ' 27' ' ' ASN . 60.3 Cg_endo -77.97 162.84 28.92 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.349 2.033 . . . . 0.0 110.646 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.71 -49.33 77.98 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.978 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -146.9 -170.73 3.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.663 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . 0.462 ' H ' HH12 ' A' ' 25' ' ' ARG . . . 60.04 21.12 10.27 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.845 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.464 HH12 ' H ' ' D' ' 24' ' ' ALA . 99.6 mtt180 -57.58 -41.71 81.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.049 0.452 . . . . 0.0 110.453 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -37.32 85.22 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.5 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.422 HD21 ' NE ' ' A' ' 25' ' ' ARG . 82.7 m-20 -66.23 -46.05 78.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.376 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.9 -42.75 89.83 Favored 'General case' 0 CA--C 1.486 -1.492 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -57.63 -38.65 75.35 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 113.406 -1.724 . . . . 0.0 108.441 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.082 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.7 -44.24 86.76 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 112.467 0.544 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.18 -46.49 88.72 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.949 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.3 -44.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.566 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -61.87 -46.47 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.672 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.2 t80 -60.74 -45.67 93.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.309 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.57 -40.86 98.07 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.668 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . . . . . . . . . 29.5 mt -63.62 -36.49 84.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.79 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -61.22 -40.13 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 95.0 mt -60.37 -41.1 93.02 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.528 HD11 ' SG ' ' D' ' 41' ' ' CYS . 29.0 mm -61.79 -42.95 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.518 ' SG ' HD11 ' A' ' 40' ' ' ILE . 60.0 m -60.06 -49.24 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.049 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.69 ' HA ' HD12 ' E' ' 45' ' ' ILE . 80.7 mt -61.8 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.159 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' D' ' 44' ' ' LEU . 40.6 mt -62.61 -42.5 99.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.976 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' E' ' 44' ' ' LEU . 27.9 mt -62.58 -37.44 86.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' E' ' 42' ' ' LEU . 24.8 mt -60.89 -41.3 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 73.6 m -59.64 -38.11 80.51 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.425 HD11 HG13 ' D' ' 48' ' ' ILE . 46.9 mm -64.38 -42.69 96.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 47' ' ' ILE . 97.6 mt -62.66 -43.11 98.31 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.37 -42.89 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.277 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . . . . . . . . . 88.0 mmm -64.87 -38.5 91.19 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.26 -41.93 96.71 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.713 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.357 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -77.36 -8.39 57.6 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.7 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.27 -35.69 79.76 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.111 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 1' ' ' MET . 5.8 m -59.94 -26.55 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.329 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.03 -37.28 81.19 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 120.058 -0.657 . . . . 0.0 109.239 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -62.31 -52.29 64.26 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.7 mp -56.81 -40.61 76.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.322 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.6 m -60.01 -50.33 74.17 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 12' ' ' ILE . 88.2 mtm180 -60.28 -42.02 94.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.861 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -64.13 -33.03 74.85 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.825 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.71 89.21 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.456 -0.793 . . . . 0.0 108.978 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 9' ' ' ARG . 22.9 mt -63.31 -42.24 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.473 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -62.85 -44.87 94.97 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -56.27 -48.6 76.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -163.1 68.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.566 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 -21.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.598 -0.441 . . . . 0.0 112.071 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -123.45 -22.95 4.91 Favored 'General case' 0 CA--C 1.522 -0.134 0 C-N-CA 121.223 -0.191 . . . . 0.0 111.481 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.5 pt -72.78 -5.94 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.688 0.28 . . . . 0.0 111.343 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.45 -4.14 32.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.333 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.431 ' N ' ' CD ' ' A' ' 21' ' ' PRO . 56.0 mtt -58.81 -45.61 99.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.277 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 20' ' ' MET . 22.2 Cg_exo -57.71 147.67 78.83 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.61 1.54 . . . . 0.0 111.886 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -65.54 -39.79 92.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.209 0.528 . . . . 0.0 109.695 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -91.8 19.42 6.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.612 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.75 -48.47 69.66 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.67 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -50.99 -40.36 57.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.888 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.407 HE22 ' HB2' ' B' ' 26' ' ' GLN . 59.1 tt0 -66.17 -44.24 84.6 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.992 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.68 -47.73 82.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.113 0.482 . . . . 0.0 110.961 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.79 -42.06 97.81 Favored 'General case' 0 CA--C 1.493 -1.219 0 N-CA-C 108.425 -0.954 . . . . 2.21 108.425 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -57.49 -41.43 80.7 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 113.651 -1.613 . . . . 2.05 107.854 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.04 -43.06 99.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.304 -0.862 . . . . 2.47 110.041 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.11 -45.61 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.338 -0.545 . . . . 2.46 111.866 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -59.37 -52.98 63.3 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.099 -0.64 . . . . 2.51 109.825 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.95 -45.33 98.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.877 -0.601 . . . . 2.41 112.147 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -62.65 -48.07 80.94 Favored 'General case' 0 CA--C 1.517 -0.314 0 C-N-CA 120.056 -0.658 . . . . 2.27 109.97 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -60.72 -43.31 98.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.719 0.295 . . . . 2.33 110.759 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HB3' ' HB3' ' E' ' 37' ' ' LEU . 2.6 m -64.52 -41.14 96.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.224 0.535 . . . . 2.43 110.427 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' B' ' 36' ' ' CYS . 31.4 mt -64.02 -40.69 96.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.312 -0.858 . . . . 2.3 109.798 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -62.49 -45.54 98.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 108.777 -0.823 . . . . 2.06 108.777 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.8 mt -58.08 -41.84 84.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.851 -0.613 . . . . 2.23 109.846 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.8 mt -63.61 -43.54 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.423 -0.511 . . . . 2.44 109.683 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 81.4 m -60.32 -47.56 85.49 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.546 -0.909 . . . . 2.39 108.546 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -59.97 -43.35 95.14 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 120.782 0.325 . . . . 2.18 110.277 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.487 HD13 ' HB2' ' E' ' 44' ' ' LEU . 45.1 mt -59.0 -42.13 89.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.739 -0.664 . . . . 2.29 109.266 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HB2' HD13 ' B' ' 43' ' ' LEU . 55.1 mt -65.34 -42.28 93.04 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.272 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.69 -47.67 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.27 -0.641 . . . . 2.47 109.27 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 84.4 m -58.17 -43.72 87.59 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.756 -0.656 . . . . 2.55 109.928 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mt -64.71 -38.23 82.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.979 -0.555 . . . . 2.2 110.629 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.534 ' O ' HD13 ' A' ' 52' ' ' LEU . 17.6 mt -62.88 -45.17 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 108.869 -0.789 . . . . 2.31 108.869 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.7 t -66.33 -45.55 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 114.729 -1.123 . . . . 0.0 111.721 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.808 ' SD ' HD11 ' E' ' 52' ' ' LEU . 74.1 mtm -64.37 -42.23 96.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.079 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -73.33 -28.05 61.85 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.254 -0.578 . . . . 0.0 110.299 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.804 HD11 ' SD ' ' B' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.53 -1.224 . . . . 0.0 109.183 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.468 ' O ' HG22 ' B' ' 4' ' ' VAL . 97.3 mtp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -77.62 -9.3 58.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.27 0.557 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.68 -35.26 77.47 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.487 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.468 HG22 ' O ' ' B' ' 1' ' ' MET . 5.9 m -60.2 -26.57 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.253 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.94 -37.08 81.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.406 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -63.41 -46.23 87.36 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.453 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.6 mp -62.31 -40.65 96.99 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.062 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 70.6 m -61.78 -44.75 96.26 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.629 ' HA ' HD12 ' B' ' 12' ' ' ILE . 87.4 mtm180 -65.33 -41.77 93.59 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.306 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 90.7 p -64.26 -32.63 74.29 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.84 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.95 -39.25 87.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.183 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' B' ' 9' ' ' ARG . 23.2 mt -63.17 -42.65 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.321 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.07 -40.3 95.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -60.17 -46.34 90.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.3 69.72 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.936 -0.705 . . . . 0.0 112.49 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.21 -22.05 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.869 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -123.49 -22.93 4.9 Favored 'General case' 0 CA--C 1.521 -0.145 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.445 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 37.7 pt -72.82 -6.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.434 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.37 -4.12 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.469 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . 0.433 ' N ' ' CD ' ' B' ' 21' ' ' PRO . 56.2 mtt -58.89 -45.44 99.6 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.189 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' B' ' 20' ' ' MET . 21.7 Cg_exo -58.03 147.66 81.32 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.608 1.539 . . . . 0.0 111.71 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -65.54 -39.8 92.18 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -91.5 18.87 6.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.557 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.29 -48.29 68.47 Favored 'General case' 0 C--O 1.219 -0.543 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.819 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -51.22 -39.89 57.56 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.945 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.423 HE22 ' HB2' ' C' ' 26' ' ' GLN . 59.1 tt0 -66.47 -44.48 82.59 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 123.313 0.383 . . . . 0.0 110.896 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.3 -45.01 93.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.03 0.443 . . . . 0.0 111.563 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.18 -41.65 89.96 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -58.66 -38.49 78.25 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.539 -1.664 . . . . 0.0 108.425 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.82 -44.54 89.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.595 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -64.94 -44.75 88.45 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -60.99 -49.46 77.34 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.464 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.4 mt -65.05 -44.94 95.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.945 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.48 -46.29 86.84 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.611 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -62.23 -43.08 99.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.048 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . 3.5 m -64.26 -42.87 96.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.19 0.519 . . . . 0.0 110.286 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' C' ' 36' ' ' CYS . 34.8 mt -62.65 -40.04 95.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.163 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.45 -43.32 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.905 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.41 -41.89 94.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.632 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt -63.0 -43.43 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.055 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.46 98.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.34 -41.37 98.86 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.074 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 44' ' ' LEU . 45.1 mt -61.86 -42.33 98.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.485 ' HB2' HD13 ' C' ' 43' ' ' LEU . 57.0 mt -64.64 -42.31 95.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.044 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.69 -43.99 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.147 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 98.8 m -61.84 -43.71 98.29 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.476 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.42 -40.6 89.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.306 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.542 ' O ' HD13 ' B' ' 52' ' ' LEU . 18.4 mt -61.51 -43.76 97.42 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.962 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.447 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.53 -45.39 85.36 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.566 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.804 ' SD ' HD11 ' A' ' 52' ' ' LEU . 73.2 mtm -64.44 -42.28 96.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.191 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.429 HD12 ' C ' ' B' ' 51' ' ' LEU . 0.5 OUTLIER -72.92 -28.53 62.51 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.207 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' C' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.219 -0.538 0 CA-C-O 117.723 -1.132 . . . . 0.0 109.51 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.469 ' O ' HG22 ' C' ' 4' ' ' VAL . 97.3 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -77.69 -8.93 58.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.604 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.88 -35.28 77.85 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.469 HG22 ' O ' ' C' ' 1' ' ' MET . 5.8 m -59.98 -26.77 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.374 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -67.93 -37.16 81.32 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.34 -46.38 86.9 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.466 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.6 mp -62.24 -40.52 96.44 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.974 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 71.6 m -62.04 -44.74 96.06 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.623 ' HA ' HD12 ' C' ' 12' ' ' ILE . 87.6 mtm180 -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.287 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -64.37 -32.8 74.56 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.816 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.08 87.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.103 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' C' ' 9' ' ' ARG . 24.5 mt -63.47 -42.75 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 CA-C-N 114.766 -1.107 . . . . 0.0 109.259 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.83 -39.84 95.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.173 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.5 -46.2 90.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.42 69.63 0.12 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.491 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.16 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.72 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 14.1 t -123.61 -23.0 4.84 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.421 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 36.9 pt -72.58 -6.21 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.33 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.25 -3.95 33.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . 0.429 ' N ' ' CD ' ' C' ' 21' ' ' PRO . 56.8 mtt -59.1 -45.33 99.43 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.235 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' C' ' 20' ' ' MET . 22.4 Cg_exo -58.03 148.1 78.94 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 121.661 1.574 . . . . 0.0 111.663 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -65.87 -40.23 91.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -91.14 19.39 5.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.588 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.71 -48.56 69.46 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -51.17 -39.94 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.816 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.423 ' HB2' HE22 ' B' ' 26' ' ' GLN . 58.9 tt0 -66.44 -44.09 83.8 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.022 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -63.34 -45.56 90.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.021 0.439 . . . . 0.0 111.545 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' C' ' 28' ' ' LEU . 12.1 mt -65.65 -41.84 92.11 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.46 -38.39 77.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.352 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -65.04 -44.47 88.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.539 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -44.59 88.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.2 -49.35 77.53 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.599 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.28 -44.82 94.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.86 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.43 -46.54 85.82 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.567 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -61.87 -43.53 98.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.15 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' B' ' 37' ' ' LEU . 3.8 m -64.08 -42.7 96.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.128 0.49 . . . . 0.0 110.153 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' D' ' 36' ' ' CYS . 34.0 mt -62.61 -40.31 96.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.109 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.16 -43.33 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.454 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.33 -41.95 94.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.728 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -62.99 -43.32 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.03 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.05 -43.78 98.1 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.589 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.0 -41.58 99.62 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.485 HD13 ' HB2' ' B' ' 44' ' ' LEU . 44.3 mt -61.46 -42.62 99.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' D' ' 43' ' ' LEU . 56.8 mt -64.54 -42.38 95.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.033 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 6.8 mm -63.39 -44.22 98.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.931 0.396 . . . . 0.0 110.141 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.74 -43.53 98.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.528 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -63.8 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.271 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' C' ' 52' ' ' LEU . 17.8 mt -61.51 -43.84 97.55 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.909 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.265 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 41.6 t -67.52 -45.2 85.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.215 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.564 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' B' ' 52' ' ' LEU . 73.0 mtm -64.58 -42.01 95.89 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.191 -179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.423 ' C ' HD12 ' C' ' 51' ' ' LEU . 0.5 OUTLIER -73.26 -28.93 62.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.112 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . 0.791 HD11 ' SD ' ' D' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.598 -1.191 . . . . 0.0 109.475 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.469 ' O ' HG22 ' D' ' 4' ' ' VAL . 97.2 mtp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -77.63 -8.52 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.295 0.569 . . . . 0.0 109.696 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.18 -35.35 78.56 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.232 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.469 HG22 ' O ' ' D' ' 1' ' ' MET . 5.7 m -59.94 -26.85 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.331 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.85 -37.32 81.72 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.392 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.468 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.6 mp -61.89 -40.74 96.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.076 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.1 m -61.73 -44.93 95.95 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' D' ' 12' ' ' ILE . 87.7 mtm180 -65.09 -42.05 94.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.267 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 87.4 p -63.89 -32.94 74.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.267 0.556 . . . . 0.0 109.876 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.82 -39.02 87.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.126 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' D' ' 9' ' ' ARG . 24.3 mt -63.56 -42.65 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.398 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.84 -40.22 96.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.099 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.3 -46.05 91.23 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.52 69.49 0.11 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.343 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.99 -22.12 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.626 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 13.8 t -123.56 -22.66 4.95 Favored 'General case' 0 N--CA 1.46 0.073 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.431 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 36.6 pt -72.91 -5.94 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.54 -3.77 32.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.472 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . 0.427 ' N ' ' CD ' ' D' ' 21' ' ' PRO . 56.3 mtt -59.13 -45.43 99.38 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.178 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' D' ' 20' ' ' MET . 22.2 Cg_exo -57.9 147.84 79.32 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.711 1.607 . . . . 0.0 111.79 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -65.73 -40.02 91.75 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -91.5 19.75 5.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.5 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.94 -48.39 70.28 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.679 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -51.29 -40.1 58.24 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.48 -0.488 . . . . 0.0 109.752 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.418 HE22 ' HB2' ' E' ' 26' ' ' GLN . 58.8 tt0 -66.26 -44.29 84.03 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.98 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -63.36 -45.39 91.41 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.439 . . . . 0.0 111.528 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -65.7 -41.78 91.95 Favored 'General case' 0 CA--C 1.494 -1.195 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -58.44 -38.66 77.92 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 113.514 -1.675 . . . . 0.0 108.385 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.75 -44.43 90.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.618 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.26 -44.54 87.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.173 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.19 -49.29 77.77 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.514 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 90.7 mt -65.15 -45.05 95.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.935 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.41 -46.55 85.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.581 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -61.73 -43.42 98.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' C' ' 37' ' ' LEU . 3.9 m -64.23 -42.82 96.39 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' E' ' 36' ' ' CYS . 33.6 mt -62.44 -40.35 96.32 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.99 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.23 -43.33 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.502 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -60.32 -41.78 94.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.565 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . . . . . . . . . 25.4 mt -63.33 -43.15 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.077 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 84.3 m -62.19 -43.57 98.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.488 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.08 -41.7 99.48 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.118 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' C' ' 44' ' ' LEU . 44.5 mt -61.51 -42.47 98.85 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.483 ' HB2' HD13 ' E' ' 43' ' ' LEU . 56.6 mt -64.54 -42.37 95.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.034 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . . . . . . . . . 6.9 mm -63.53 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.134 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 99.9 m -61.82 -43.37 98.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.513 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.99 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.18 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . 0.556 ' O ' HD13 ' D' ' 52' ' ' LEU . 18.3 mt -61.6 -43.81 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.37 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -67.49 -45.4 85.48 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.566 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.791 ' SD ' HD11 ' C' ' 52' ' ' LEU . 73.3 mtm -64.27 -42.25 96.53 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.24 -179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.423 HD12 ' C ' ' D' ' 51' ' ' LEU . 0.5 OUTLIER -73.22 -28.76 62.35 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.466 -0.493 . . . . 0.0 110.211 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . 0.782 HD11 ' SD ' ' E' ' 50' ' ' MET . 2.8 mp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.273 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.46 ' O ' HG22 ' E' ' 4' ' ' VAL . 97.5 mtp . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -77.54 -8.68 58.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.253 0.549 . . . . 0.0 109.668 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.1 -35.13 77.76 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.46 HG22 ' O ' ' E' ' 1' ' ' MET . 5.8 m -60.15 -26.67 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.34 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -67.84 -37.4 81.84 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.25 -46.56 86.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.453 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.7 mp -62.21 -40.55 96.48 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 71.4 m -61.71 -44.87 96.09 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.652 ' HA ' HD12 ' E' ' 12' ' ' ILE . 87.6 mtm180 -65.32 -41.63 93.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 92.3 p -64.31 -32.75 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.677 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.3 88.09 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.197 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' E' ' 9' ' ' ARG . 23.7 mt -63.23 -42.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 CA-C-N 114.723 -1.126 . . . . 0.0 109.409 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -63.96 -40.46 96.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.093 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.17 -45.93 91.44 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.37 69.29 0.11 Allowed 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.803 -0.759 . . . . 0.0 112.497 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.96 -21.99 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.579 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -123.43 -22.89 4.94 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 120.901 -0.319 . . . . 0.0 111.465 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 37.4 pt -72.86 -5.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.739 0.304 . . . . 0.0 111.372 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -99.54 -4.05 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.41 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . 0.422 ' N ' ' CD ' ' E' ' 21' ' ' PRO . 56.3 mtt -58.88 -45.65 99.59 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.115 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' E' ' 20' ' ' MET . 22.1 Cg_exo -57.86 147.6 80.34 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.634 1.556 . . . . 0.0 111.825 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -65.49 -39.76 92.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -91.85 19.5 6.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.573 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.62 -48.35 69.41 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.656 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -51.26 -40.09 58.14 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.966 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.418 ' HB2' HE22 ' D' ' 26' ' ' GLN . 59.1 tt0 -66.4 -44.3 83.39 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 123.277 0.361 . . . . 0.0 110.985 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -63.31 -45.64 90.41 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 111.449 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 mt -65.49 -41.81 92.85 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -58.5 -38.59 78.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.513 -1.676 . . . . 0.0 108.394 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.73 -44.36 90.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.722 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.29 -44.62 87.41 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.206 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -61.02 -49.24 78.22 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.443 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.32 -44.91 94.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.987 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -63.45 -46.51 85.91 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.48 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -62.07 -43.27 99.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.079 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' D' ' 37' ' ' LEU . 3.6 m -64.12 -42.71 96.75 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.286 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 34.5 mt -62.66 -40.18 96.25 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.16 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mm -63.16 -43.72 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.32 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . . . . . . . . . 61.8 mt -60.35 -41.78 94.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.573 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . . . . . . . . . 25.5 mt -63.11 -43.57 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . . . . . . . . . 83.7 m -62.0 -43.45 98.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.546 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -63.34 -41.32 98.87 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.056 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . 0.483 HD13 ' HB2' ' D' ' 44' ' ' LEU . 43.9 mt -61.74 -42.53 99.09 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.487 ' HB2' HD13 ' A' ' 43' ' ' LEU . 57.1 mt -64.43 -42.58 95.95 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.033 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.43 -44.03 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.163 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.87 -43.54 98.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.509 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 mt -63.78 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.233 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . 0.559 ' O ' HD13 ' E' ' 52' ' ' LEU . 18.5 mt -61.67 -43.5 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.433 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.73 -45.21 85.01 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.567 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.782 ' SD ' HD11 ' D' ' 52' ' ' LEU . 73.4 mtm -64.45 -42.29 96.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.128 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.429 ' C ' HD12 ' E' ' 51' ' ' LEU . 0.5 OUTLIER -73.0 -28.6 62.46 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.232 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.808 HD11 ' SD ' ' A' ' 50' ' ' MET . 2.7 mp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.657 -1.163 . . . . 0.0 109.482 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' HG12 ' A' ' 4' ' ' VAL . 67.3 mtt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.3 -15.58 60.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.465 0.65 . . . . 0.0 109.499 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.73 -43.47 98.78 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.662 0.744 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -60.23 -27.25 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.471 -1.24 . . . . 0.0 111.177 -179.169 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -39.59 89.45 Favored 'General case' 0 N--CA 1.434 -1.245 0 C-N-CA 119.458 -0.897 . . . . 0.0 109.517 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -64.49 -44.1 92.05 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.234 -0.586 . . . . 0.0 109.583 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.6 mp -62.13 -41.11 97.94 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.4 m -60.26 -48.2 82.73 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HA ' HD12 ' A' ' 12' ' ' ILE . 98.2 mtt180 -59.7 -41.59 91.11 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.1 -179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.0 t -59.57 -38.08 80.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.151 0.5 . . . . 0.0 109.654 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.35 -38.82 88.49 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.707 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 9' ' ' ARG . 9.8 mt -64.76 -42.94 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.519 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -63.46 -36.34 83.42 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.465 0.65 . . . . 0.0 109.295 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.514 ' O ' HD11 ' A' ' 18' ' ' ILE . 61.9 ttp180 -60.85 -42.3 97.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.106 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.74 70.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.66 -52.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.241 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.58 -31.22 21.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.514 HD11 ' O ' ' A' ' 14' ' ' ARG . 20.0 pt -74.17 -15.93 16.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.328 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -106.12 26.94 9.13 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.762 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -52.31 159.66 1.5 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.701 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.23 -33.74 66.35 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 122.356 2.037 . . . . 0.0 111.835 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -64.23 160.66 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.27 108.53 0.62 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.429 0.633 . . . . 0.0 110.967 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -173.28 -25.32 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HE ' ' NE2' ' E' ' 26' ' ' GLN . 60.8 mtp85 -61.76 -40.57 95.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.699 -179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' NE2' ' HE ' ' B' ' 25' ' ' ARG . 8.4 pt20 -65.89 -25.34 67.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.331 0.586 . . . . 0.0 110.653 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -72.85 -37.7 67.33 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.192 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 18' ' ' ILE . 7.2 mt -65.27 -49.24 70.33 Favored 'General case' 0 CA--C 1.504 -0.813 0 CA-C-O 121.191 0.52 . . . . 2.3 110.845 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -62.85 -37.59 87.42 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 108.144 -1.058 . . . . 1.89 108.144 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -60.03 -47.96 83.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.686 -0.806 . . . . 2.54 110.096 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.19 -42.93 83.35 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 120.032 -0.667 . . . . 2.52 111.287 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.82 -44.49 96.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 118.375 0.534 . . . . 2.39 112.069 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.2 mt -68.59 -44.42 82.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.576 -0.45 . . . . 2.51 109.928 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.42 -44.3 97.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.902 -0.59 . . . . 2.15 109.44 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.77 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 3.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.567 -0.288 . . . . 2.1 111.425 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.8 m -64.78 -35.31 80.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 119.85 -0.74 . . . . 2.65 109.816 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 40' ' ' ILE . 33.0 mt -65.99 -39.01 89.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.91 -0.586 . . . . 2.28 109.801 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.1 mm -61.86 -44.09 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.452 -0.944 . . . . 1.9 108.452 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD11 ' CZ ' ' A' ' 35' ' ' PHE . 95.2 mt -56.26 -42.16 76.95 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.379 -0.6 . . . . 2.31 109.379 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG23 HD11 ' E' ' 44' ' ' LEU . 28.7 mt -63.16 -43.04 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 108.92 -0.77 . . . . 2.39 108.92 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' B' ' 40' ' ' ILE . 61.6 m -58.87 -50.82 72.56 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.131 -0.692 . . . . 2.35 109.131 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.675 ' HA ' HD12 ' A' ' 45' ' ' ILE . 72.4 mt -60.39 -43.21 96.84 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.968 0.413 . . . . 2.37 110.569 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.94 -41.63 92.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.658 -0.701 . . . . 2.2 109.43 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.609 ' CD1' HG23 ' B' ' 40' ' ' ILE . 31.1 mt -63.43 -39.52 94.71 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.271 -0.64 . . . . 2.21 109.271 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.675 HD12 ' HA ' ' A' ' 42' ' ' LEU . 25.3 mt -62.62 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.346 -0.983 . . . . 2.47 108.346 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 92.6 m -62.09 -37.32 84.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.468 -0.787 . . . . 2.39 109.982 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.3 -41.21 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.972 0.415 . . . . 2.19 109.966 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.98 -42.64 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.856 -0.794 . . . . 2.38 108.856 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.55 -44.34 98.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.545 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.716 ' HB3' HD11 ' E' ' 51' ' ' LEU . 86.3 mmm -65.1 -42.15 94.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' B' ' 50' ' ' MET . 0.4 OUTLIER -74.6 -25.35 59.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.004 0.43 . . . . 0.0 110.069 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 117.817 -1.087 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.44 ' O ' HG12 ' B' ' 4' ' ' VAL . 66.9 mtt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.15 -16.05 61.06 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 121.71 0.767 . . . . 0.0 109.466 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.761 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.44 HG12 ' O ' ' B' ' 1' ' ' MET . 0.8 OUTLIER -60.71 -27.62 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.852 -179.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -39.51 90.87 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.644 -0.823 . . . . 0.0 109.705 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -64.99 -42.17 94.76 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.767 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 7' ' ' LEU . 7.5 mp -63.56 -40.84 98.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 70.7 m -61.73 -43.39 98.94 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' B' ' 12' ' ' ILE . 98.1 mtt180 -63.88 -41.25 97.78 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.622 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 8.8 t -60.24 -38.01 82.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.149 0.5 . . . . 0.0 109.819 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.6 85.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.712 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' B' ' 9' ' ' ARG . 9.9 mt -65.09 -43.63 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.342 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.54 -35.51 80.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 0.0 109.557 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.503 ' O ' HD11 ' B' ' 18' ' ' ILE . 61.9 ttp180 -61.77 -41.2 97.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.779 -1.1 . . . . 0.0 112.178 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.97 70.52 0.32 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.84 -52.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.369 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.31 -31.64 21.47 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.503 HD11 ' O ' ' B' ' 14' ' ' ARG . 20.0 pt -74.08 -15.6 16.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.587 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -106.5 27.32 8.9 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.627 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -52.75 159.46 1.76 Allowed Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -52.7 -33.85 61.45 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.361 2.04 . . . . 0.0 111.742 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.7 159.87 21.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.34 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.54 109.19 0.65 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -175.32 -23.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.048 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.534 ' HE ' ' NE2' ' A' ' 26' ' ' GLN . 61.8 mtp85 -62.65 -40.06 95.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.28 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.542 ' NE2' ' HE ' ' C' ' 25' ' ' ARG . 8.5 pt20 -66.05 -28.49 68.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.226 0.536 . . . . 0.0 110.728 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -70.47 -37.55 74.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.559 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.429 HD22 HD12 ' B' ' 18' ' ' ILE . 8.3 mt -64.49 -49.94 69.38 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 121.213 0.53 . . . . 0.0 110.43 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.99 -33.94 76.86 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 115.125 -0.943 . . . . 0.0 108.919 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.32 -49.4 75.77 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.664 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.45 -40.69 89.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.828 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.43 81.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.0 -44.6 92.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -61.82 -43.65 98.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.226 0.536 . . . . 0.0 109.777 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' B' ' 39' ' ' LEU . 3.9 t80 -58.18 -46.43 85.78 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -64.45 -37.23 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.815 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.553 ' HA ' HD12 ' B' ' 40' ' ' ILE . 31.6 mt -64.02 -39.38 93.98 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.771 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 mm -62.14 -41.52 91.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.766 HD11 ' CZ ' ' B' ' 35' ' ' PHE . 92.2 mt -58.95 -41.72 88.13 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.609 HG23 ' CD1' ' A' ' 44' ' ' LEU . 29.2 mt -63.15 -42.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.182 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' C' ' 40' ' ' ILE . 61.5 m -60.14 -48.05 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.702 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.677 ' HA ' HD12 ' B' ' 45' ' ' ILE . 74.4 mt -62.51 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.496 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.08 -41.67 98.42 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.59 ' CD1' HG23 ' C' ' 40' ' ' ILE . 30.7 mt -63.11 -39.12 93.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' B' ' 42' ' ' LEU . 25.8 mt -62.92 -42.85 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 95.6 m -62.77 -37.11 85.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.717 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.01 -43.08 97.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.01 -42.43 96.66 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.152 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.1 -43.75 97.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.796 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 51' ' ' LEU . 85.9 mmm -66.1 -41.68 90.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.728 HD11 ' HB3' ' C' ' 50' ' ' MET . 0.4 OUTLIER -74.95 -24.58 58.49 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.137 179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.218 -0.603 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.414 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.445 ' O ' HG12 ' C' ' 4' ' ' VAL . 67.1 mtt . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.05 -16.05 60.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.665 0.745 . . . . 0.0 109.56 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.99 -42.61 99.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.844 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.445 HG12 ' O ' ' C' ' 1' ' ' MET . 0.8 OUTLIER -60.89 -27.27 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.382 -1.281 . . . . 0.0 110.664 -179.71 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -39.2 89.26 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 119.498 -0.881 . . . . 0.0 109.547 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.45 -42.26 92.52 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.161 -0.616 . . . . 0.0 109.658 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.433 HD12 ' N ' ' C' ' 7' ' ' LEU . 7.6 mp -63.34 -41.07 98.85 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 76.3 m -61.48 -43.32 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ARG . . . . . 0.426 ' HA ' HD12 ' C' ' 12' ' ' ILE . 98.2 mtt180 -63.97 -40.87 97.4 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.753 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 9.0 t -60.52 -37.88 82.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.94 -37.81 85.0 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.672 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' C' ' 9' ' ' ARG . 10.1 mt -65.13 -43.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.672 -1.149 . . . . 0.0 109.122 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -63.67 -35.9 82.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.287 0.565 . . . . 0.0 109.501 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.509 ' O ' HD11 ' C' ' 18' ' ' ILE . 62.0 ttp180 -61.22 -41.5 96.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.78 -1.1 . . . . 0.0 112.416 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.6 69.89 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.09 -52.58 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.319 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -86.53 -31.48 21.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.154 0.502 . . . . 0.0 109.9 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . 0.509 HD11 ' O ' ' C' ' 14' ' ' ARG . 19.9 pt -74.18 -15.61 16.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.634 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -106.73 27.93 8.41 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.614 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -53.34 159.62 2.12 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -53.06 -33.29 62.52 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.44 2.093 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -64.95 160.1 21.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.215 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.78 109.04 0.65 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.177 0.513 . . . . 0.0 111.121 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.93 -23.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.148 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.542 ' HE ' ' NE2' ' B' ' 26' ' ' GLN . 61.2 mtp85 -62.99 -40.42 97.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' GLN . . . . . 0.519 ' NE2' ' HE ' ' D' ' 25' ' ' ARG . 8.1 pt20 -66.01 -27.6 68.24 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.344 0.592 . . . . 0.0 110.749 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -71.06 -37.91 72.49 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.517 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.44 HD22 HD12 ' C' ' 18' ' ' ILE . 8.1 mt -64.08 -49.82 70.78 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 121.106 0.479 . . . . 0.0 110.628 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.07 -33.94 76.9 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.897 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -62.33 -49.34 76.01 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.296 -0.962 . . . . 0.0 109.537 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.43 -40.65 89.62 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.902 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.66 -48.49 80.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.119 0.485 . . . . 0.0 110.7 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 95.1 mt -65.92 -44.51 92.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -62.12 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.224 0.535 . . . . 0.0 109.805 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 39' ' ' LEU . 3.9 t80 -58.51 -46.1 87.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' CYS . . . . . . . . . . . . . 92.1 m -64.53 -37.33 87.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 119.982 -0.687 . . . . 0.0 109.832 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' LEU . . . . . 0.555 ' HA ' HD12 ' C' ' 40' ' ' ILE . 33.9 mt -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.85 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.01 -41.52 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' C' ' 35' ' ' PHE . 93.6 mt -59.09 -41.78 88.87 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' ILE . . . . . 0.59 HG23 ' CD1' ' B' ' 44' ' ' LEU . 28.4 mt -63.05 -42.51 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' CYS . . . . . 0.541 ' SG ' HG13 ' D' ' 40' ' ' ILE . 62.3 m -60.54 -47.56 85.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.764 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' LEU . . . . . 0.669 ' HA ' HD12 ' C' ' 45' ' ' ILE . 72.4 mt -62.99 -41.61 99.62 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -41.45 98.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.428 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' LEU . . . . . 0.585 ' CD1' HG23 ' D' ' 40' ' ' ILE . 31.9 mt -63.18 -39.31 94.27 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.46 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' C' ' 42' ' ' LEU . 25.5 mt -63.06 -42.66 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' CYS . . . . . . . . . . . . . 90.3 m -63.07 -36.91 85.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.768 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mm -64.23 -43.18 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.89 -42.66 97.31 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.79 -43.6 97.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' MET . . . . . 0.728 ' HB3' HD11 ' B' ' 51' ' ' LEU . 85.9 mmm -66.05 -41.95 90.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.346 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.721 HD11 ' HB3' ' D' ' 50' ' ' MET . 0.4 OUTLIER -74.63 -24.95 58.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.215 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.217 -0.644 0 CA-C-O 117.726 -1.13 . . . . 0.0 110.43 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.447 ' O ' HG12 ' D' ' 4' ' ' VAL . 67.5 mtt . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -63.92 -15.84 60.05 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 121.752 0.787 . . . . 0.0 109.453 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -62.14 -42.46 99.27 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.798 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.447 HG12 ' O ' ' D' ' 1' ' ' MET . 0.8 OUTLIER -61.04 -27.05 40.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 114.4 -1.273 . . . . 0.0 110.822 -179.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -39.41 89.23 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 119.698 -0.801 . . . . 0.0 109.525 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -65.09 -42.1 94.37 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.729 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.43 HD12 ' N ' ' D' ' 7' ' ' LEU . 7.5 mp -63.47 -40.98 98.54 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' THR . . . . . . . . . . . . . 71.8 m -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ARG . . . . . 0.429 ' HA ' HD12 ' D' ' 12' ' ' ILE . 98.1 mtt180 -64.18 -40.81 96.9 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.556 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t -60.8 -37.89 83.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.512 . . . . 0.0 109.856 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.97 85.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.7 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' D' ' 9' ' ' ARG . 10.0 mt -65.0 -43.2 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.242 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -63.89 -35.99 82.47 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.394 0.616 . . . . 0.0 109.494 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ARG . . . . . 0.51 ' O ' HD11 ' D' ' 18' ' ' ILE . 62.1 ttp180 -61.41 -41.68 97.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.845 -1.07 . . . . 0.0 112.192 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.21 70.19 0.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.33 -52.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.289 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -86.17 -31.38 21.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.128 0.49 . . . . 0.0 110.054 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.51 HD11 ' O ' ' D' ' 14' ' ' ARG . 19.9 pt -74.48 -15.61 16.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.489 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -106.44 27.33 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.616 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.72 159.4 1.76 Allowed Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.727 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -52.86 -33.37 60.91 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.467 2.111 . . . . 0.0 111.782 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.79 160.3 20.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.323 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -58.02 109.08 0.67 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.77 -23.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.997 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' ARG . . . . . 0.519 ' HE ' ' NE2' ' C' ' 26' ' ' GLN . 61.0 mtp85 -62.25 -40.57 96.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.256 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' GLN . . . . . 0.525 ' NE2' ' HE ' ' E' ' 25' ' ' ARG . 8.3 pt20 -65.82 -27.92 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.441 0.639 . . . . 0.0 110.72 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -70.88 -37.97 73.07 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' LEU . . . . . 0.438 HD22 HD12 ' D' ' 18' ' ' ILE . 7.8 mt -63.99 -50.23 69.38 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.346 0.593 . . . . 0.0 110.581 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -63.66 -34.42 77.82 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.919 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -61.79 -49.23 77.18 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.407 -0.917 . . . . 0.0 109.724 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.56 -40.62 89.11 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.964 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.4 -48.47 81.07 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.146 0.498 . . . . 0.0 110.752 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 95.8 mt -66.02 -44.49 92.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.68 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.32 -43.26 99.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.396 0.617 . . . . 0.0 109.725 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' D' ' 39' ' ' LEU . 3.8 t80 -58.39 -46.16 86.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' CYS . . . . . . . . . . . . . 92.2 m -64.67 -37.03 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.814 -0.754 . . . . 0.0 109.731 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' LEU . . . . . 0.575 ' HA ' HD12 ' D' ' 40' ' ' ILE . 34.2 mt -64.37 -39.26 93.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.858 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.14 -41.34 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' D' ' 35' ' ' PHE . 93.6 mt -59.03 -41.81 88.71 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' C' ' 44' ' ' LEU . 28.1 mt -63.11 -42.68 97.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' E' ' 40' ' ' ILE . 61.9 m -60.64 -47.39 86.43 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . 0.664 ' HA ' HD12 ' D' ' 45' ' ' ILE . 72.0 mt -62.76 -41.92 99.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.424 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 18.8 mt -62.03 -41.55 98.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.429 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' LEU . . . . . 0.595 HD11 HG23 ' E' ' 40' ' ' ILE . 31.2 mt -63.02 -39.35 94.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.45 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' D' ' 42' ' ' LEU . 26.3 mt -62.98 -42.68 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' CYS . . . . . . . . . . . . . 93.3 m -62.96 -36.96 85.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -64.26 -43.04 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.92 -42.51 96.8 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.745 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.232 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.21 -43.91 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.895 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.755 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' MET . . . . . 0.721 ' HB3' HD11 ' C' ' 51' ' ' LEU . 86.7 mmm -65.6 -42.0 92.13 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' E' ' 50' ' ' MET . 0.4 OUTLIER -74.59 -25.24 59.14 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.048 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.426 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . 0.444 ' O ' HG12 ' E' ' 4' ' ' VAL . 67.1 mtt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.93 -15.78 59.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.679 0.752 . . . . 0.0 109.448 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.05 -42.81 99.58 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.821 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' VAL . . . . . 0.444 HG12 ' O ' ' E' ' 1' ' ' MET . 0.8 OUTLIER -60.8 -27.29 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.431 -1.259 . . . . 0.0 110.887 -179.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -39.29 89.55 Favored 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 119.629 -0.828 . . . . 0.0 109.431 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -65.12 -42.2 94.16 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.772 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.428 ' N ' HD12 ' E' ' 7' ' ' LEU . 7.5 mp -63.57 -41.08 98.41 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -61.58 -43.07 99.54 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' ARG . . . . . 0.423 ' HA ' HD12 ' E' ' 12' ' ' ILE . 98.1 mtt180 -64.02 -41.33 97.49 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.511 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' SER . . . . . . . . . . . . . 9.5 t -60.14 -38.29 82.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.123 0.487 . . . . 0.0 109.689 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.79 85.84 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.202 -0.908 . . . . 0.0 108.801 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' E' ' 9' ' ' ARG . 10.0 mt -64.93 -43.47 96.23 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.336 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -63.69 -35.74 81.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.355 0.598 . . . . 0.0 109.559 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' ARG . . . . . 0.51 ' O ' HD11 ' E' ' 18' ' ' ILE . 61.9 ttp180 -61.53 -41.68 97.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.854 -1.067 . . . . 0.0 112.244 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -161.32 71.02 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.21 -52.98 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.34 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -86.16 -31.38 21.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.118 0.485 . . . . 0.0 110.004 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . 0.51 HD11 ' O ' ' E' ' 14' ' ' ARG . 19.5 pt -74.39 -15.56 16.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.47 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -106.49 27.5 8.72 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.723 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . 12.6 ptt? -52.86 159.61 1.75 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.694 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -52.9 -33.59 62.37 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.458 2.106 . . . . 0.0 111.817 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -64.94 160.21 21.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.339 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 23' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -57.75 108.91 0.63 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 24' ' ' ALA . . . . . . . . . . . . . . . -174.76 -23.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.036 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.525 ' HE ' ' NE2' ' D' ' 26' ' ' GLN . 61.9 mtp85 -62.88 -40.44 97.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.216 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 26' ' ' GLN . . . . . 0.534 ' NE2' ' HE ' ' A' ' 25' ' ' ARG . 8.4 pt20 -65.8 -28.57 69.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.137 0.494 . . . . 0.0 110.454 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -70.33 -37.67 74.74 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.584 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 28' ' ' LEU . . . . . 0.436 HD22 HD12 ' E' ' 18' ' ' ILE . 8.0 mt -64.39 -49.53 71.21 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.313 0.577 . . . . 0.0 110.635 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -64.49 -33.78 76.67 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.83 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -62.31 -49.12 76.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.534 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.71 -40.64 88.53 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.778 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 32' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.54 -48.26 81.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.019 0.438 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.19 -44.33 91.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.791 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -62.31 -43.13 99.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.329 0.585 . . . . 0.0 109.673 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 35' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' E' ' 39' ' ' LEU . 3.8 t80 -58.63 -46.3 87.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 36' ' ' CYS . . . . . . . . . . . . . 90.4 m -64.62 -37.07 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.859 -0.736 . . . . 0.0 109.857 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' LEU . . . . . 0.57 ' HA ' HD12 ' E' ' 40' ' ' ILE . 33.7 mt -64.16 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.642 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' ILE . . . . . . . . . . . . . 8.0 mm -62.21 -41.51 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 39' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' E' ' 35' ' ' PHE . 92.6 mt -58.91 -41.62 87.7 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 40' ' ' ILE . . . . . 0.595 HG23 HD11 ' D' ' 44' ' ' LEU . 29.3 mt -63.42 -42.21 95.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 41' ' ' CYS . . . . . 0.537 ' SG ' HG13 ' A' ' 40' ' ' ILE . 62.1 m -61.0 -47.4 86.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.762 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD12 ' E' ' 45' ' ' ILE . 72.4 mt -63.0 -41.89 99.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -61.83 -41.66 98.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 44' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 40' ' ' ILE . 31.5 mt -63.18 -39.34 94.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 45' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' E' ' 42' ' ' LEU . 25.5 mt -62.72 -42.85 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 46' ' ' CYS . . . . . . . . . . . . . 92.1 m -62.81 -37.24 85.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.702 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.93 -43.01 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.0 -42.38 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 49' ' ' VAL . . . . . . . . . . . . . 53.4 t -64.16 -43.53 97.39 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 50' ' ' MET . . . . . 0.694 ' HB3' HD11 ' D' ' 51' ' ' LEU . 86.7 mmm -66.04 -41.86 90.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.358 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 51' ' ' LEU . . . . . 0.716 HD11 ' HB3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -74.86 -24.9 58.65 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.027 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.854 -1.069 . . . . 0.0 110.415 179.803 . . . . . . . . 1 1 . 1 stop_ save_