data_2mh3_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 2mh3 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 CA--C 1.499 -0.992 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.44 -25.2 63.09 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.775 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.2 60.22 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.99 -42.11 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.542 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.8 ttm180 -59.43 -48.62 80.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.612 175.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' ILE . 78.3 ttt180 -52.71 -45.25 66.83 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.176 0.99 . . . . 0.0 111.592 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.36 -49.96 75.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 123.75 0.656 . . . . 0.0 109.703 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -65.03 -31.31 72.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.7 mt -59.2 -52.73 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.955 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 44.9 mt-10 -57.04 -45.77 82.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.356 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.8 m -69.1 -45.24 70.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.531 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.2 -36.29 83.73 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.692 0.62 . . . . 0.0 110.24 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 22.9 t -63.26 -53.34 54.47 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.198 0.523 . . . . 0.0 110.547 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -71.15 -25.76 62.7 Favored 'General case' 0 C--N 1.317 -0.848 0 O-C-N 121.776 -0.577 . . . . 0.0 110.892 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.38 -57.63 12.14 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 123.823 0.849 . . . . 0.0 110.487 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 55' ' ' SER . 65.8 pttt -58.64 -37.74 76.59 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.8 0.333 . . . . 0.0 110.706 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.8 m -58.81 -59.79 4.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.637 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.02 -27.89 66.93 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.0 mm -71.41 -55.26 14.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.266 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -174.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.669 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 3.6 m-20 -74.71 -24.77 58.8 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.07 63.95 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.971 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 65' ' ' LEU . 3.7 mp -99.95 -19.77 16.43 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 119.571 -0.852 . . . . 0.0 111.373 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.669 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.3 mmpt? 63.35 48.83 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.641 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.816 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 48.2 mttp -57.41 -77.44 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.812 174.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.554 ' OD2' ' HB3' ' A' ' 70' ' ' SER . 34.0 t70 -168.74 131.45 1.35 Allowed 'General case' 0 CA--C 1.461 -2.462 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.6 m -86.78 -15.34 39.63 Favored 'General case' 0 N--CA 1.406 -2.644 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.9 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.554 ' HB3' ' OD2' ' A' ' 68' ' ' ASP . 38.2 t -71.8 -49.67 36.57 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -71.63 -13.29 61.71 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.533 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 14.1 t-80 -67.11 -16.74 64.51 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.156 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.1 p -79.17 -6.2 55.98 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.71 0.766 . . . . 0.0 110.989 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 74.81 1.46 Allowed 'General case' 0 N--CA 1.424 -1.764 0 CA-C-O 122.352 1.073 . . . . 0.0 109.101 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.39 123.64 50.56 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.853 171.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -64.99 142.88 58.28 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.0 ttmt -50.49 -39.73 49.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.21 73.83 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.65 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 83' ' ' MET . 21.1 t70 -76.13 -34.33 59.45 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 78.8 mt -68.26 -50.18 60.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.653 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.6 mt -60.43 -50.96 71.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 11.5 tt0 -59.71 -35.51 74.66 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.816 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 24.6 tpp -67.37 -35.12 78.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.691 0.758 . . . . 0.0 109.298 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.1 m -72.3 -44.16 63.14 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.052 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 81' ' ' LEU . 60.8 t -63.8 -42.88 97.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mttm -66.3 -36.7 83.62 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.626 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.24 -27.07 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tt -64.47 -43.4 94.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.633 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 18.0 mmm180 -61.93 -45.04 95.45 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.517 -1.22 . . . . 0.0 109.137 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.52 -48.44 81.66 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.487 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.7 mt -62.99 -34.95 78.64 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.207 0.527 . . . . 0.0 111.697 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -70.53 -28.93 65.32 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.59 -7.88 8.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -173.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 O-C-N 121.427 -0.796 . . . . 0.0 110.837 -179.378 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -75.28 -40.74 58.4 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.83 -40.81 98.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.46 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.573 ' O ' HG13 ' B' ' 50' ' ' ILE . 37.8 ttm180 -58.06 -54.8 42.84 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.267 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.473 ' HA ' HD13 ' B' ' 50' ' ' ILE . 20.2 ttt180 -52.1 -50.02 62.45 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 124.535 1.134 . . . . 0.0 111.305 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.85 -48.21 78.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.103 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -66.25 -31.11 71.73 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.954 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -61.59 -45.21 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.33 -43.39 86.26 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.173 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 28.4 mm-40 -57.05 -44.8 83.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.981 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p -76.31 -42.07 46.45 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.575 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.55 -38.56 91.61 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.71 -49.72 71.98 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.707 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.731 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -56.02 -58.46 7.83 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.006 0.923 . . . . 0.0 109.67 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.02 -44.35 70.88 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.914 0.885 . . . . 0.0 110.725 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -60.43 -55.31 35.06 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.943 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.02 -31.61 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 28.2 mm -66.72 -55.5 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.515 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.62 -28.76 70.13 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.563 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.5 OUTLIER -80.54 -25.79 38.44 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.35 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.77 -32.07 25.6 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.506 HD13 ' N ' ' B' ' 65' ' ' LEU . 5.7 mp -90.18 -30.52 17.54 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.436 -0.505 . . . . 0.0 111.073 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.563 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 56.33 58.07 4.51 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.133 0.968 . . . . 0.0 110.5 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.705 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -78.27 -73.8 0.3 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.368 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -169.59 154.01 5.35 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -85.65 -21.63 28.31 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.757 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -73.64 -37.95 65.17 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.628 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -81.01 -6.49 58.85 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -81.87 -41.01 21.59 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 34.0 m -78.88 9.61 4.09 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.731 0.777 . . . . 0.0 110.723 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.19 30.08 2.21 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.737 1.256 . . . . 0.0 107.615 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 17.9 mt -85.07 107.49 17.2 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.835 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.58 148.61 42.77 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 27.7 ttmt -50.9 -43.11 59.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.9 71.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.154 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' B' ' 83' ' ' MET . 39.3 t0 -74.36 -39.6 62.65 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.49 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.1 mt -66.25 -52.46 47.35 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.564 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.7 mt -57.94 -52.65 64.62 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.638 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 37.9 tt0 -68.08 -28.04 67.01 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.013 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.705 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 46.3 tpp -64.4 -36.65 84.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 7.8 m -65.42 -44.56 87.01 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.765 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.638 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 44.3 t -67.68 -39.71 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.769 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 49.7 mtmt -68.28 -39.02 82.27 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 122.06 -0.4 . . . . 0.0 111.05 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.487 ' CG ' HD11 ' B' ' 65' ' ' LEU . 67.8 t60 -64.95 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 15.8 tp -62.88 -41.89 99.57 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.957 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -67.06 -40.96 87.2 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -62.14 -47.74 83.21 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.634 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.78 -42.16 95.29 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.305 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.35 -12.02 59.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -8.12 19.64 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.655 0.74 . . . . 0.0 111.631 174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.12 36.99 1.03 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.287 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -178.177 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 CA--C 1.495 -1.164 0 CA-C-O 120.512 0.196 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.9 -21.81 59.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.225 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -42.22 54.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.302 -1.369 . . . . 0.0 107.302 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -61.33 -45.2 95.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.554 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.55 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.8 ttp180 -56.55 -54.31 47.38 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.035 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 50' ' ' ILE . 47.3 ttp180 -52.77 -44.55 66.6 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.054 0.846 . . . . 0.0 112.639 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.17 94.42 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -63.73 -33.1 74.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.6 mt -57.98 -55.27 22.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.47 -39.04 92.13 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.412 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 18.2 mm-40 -67.57 -36.53 81.1 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.193 177.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 m -76.13 -36.54 58.77 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.79 -32.6 73.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.9 t -59.83 -53.96 51.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.988 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -70.45 -32.22 69.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.173 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 84' ' ' THR . 2.0 tm? -54.07 -59.54 4.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.186 1.394 . . . . 0.0 108.229 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -38.46 76.99 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.764 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -53.6 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.069 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -28.9 66.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -66.59 -48.0 81.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.241 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -73.72 -20.62 60.47 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.231 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -82.46 -37.8 24.86 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 122.62 0.368 . . . . 0.0 111.938 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.49 -44.09 15.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.129 0.49 . . . . 0.0 110.353 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 87' ' ' HIS . 6.6 mp -82.66 -31.04 28.91 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.57 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 35.7 mtmt 47.86 67.78 0.77 Allowed 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 122.541 1.162 . . . . 0.0 112.251 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.3 -76.99 0.08 Allowed 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.997 -1.91 . . . . 0.0 109.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -176.32 152.16 1.08 Allowed 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.5 t -82.49 -24.87 33.97 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.224 0.535 . . . . 0.0 109.949 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -72.43 -45.6 58.89 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.272 0.558 . . . . 0.0 110.562 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.09 -11.21 57.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.064 -177.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -57.18 -43.08 82.29 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.617 0.767 . . . . 0.0 109.95 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -78.84 14.09 1.48 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.42 12.33 6.45 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-O 122.229 1.014 . . . . 0.0 109.478 173.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -81.02 111.53 17.58 Favored 'General case' 0 N--CA 1.417 -2.095 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.32 172.028 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' OD2' ' A' ' 79' ' ' ASP . 19.1 mm-40 -77.8 163.92 25.67 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.6 ttmt -52.59 -43.98 65.65 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -27.59 69.01 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.034 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' OD2' ' HB2' ' A' ' 76' ' ' GLU . 23.7 m-20 -78.54 -43.82 25.81 Favored 'General case' 0 CA--C 1.491 -1.316 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.56 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.209 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.457 ' O ' HG21 ' A' ' 85' ' ' VAL . 7.0 mp -57.43 -52.97 63.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 5.6 pt-20 -67.21 -27.13 67.0 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.819 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.6 tpp -69.62 -36.55 76.25 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.391 0.615 . . . . 0.0 109.706 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 57' ' ' LEU . 4.0 m -68.79 -37.54 79.36 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.675 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 81' ' ' LEU . 96.8 t -63.55 -46.19 95.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.197 175.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 46.9 mttm -62.88 -40.93 99.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.145 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.423 ' CG ' HD12 ' A' ' 65' ' ' LEU . 11.5 t-160 -60.68 -33.3 72.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.651 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.477 HD21 HH11 ' A' ' 89' ' ' ARG . 4.3 tt -65.47 -44.4 87.31 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.477 HH11 HD21 ' A' ' 88' ' ' LEU . 21.8 mmm180 -66.26 -47.09 74.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.09 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.35 -45.91 87.28 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.248 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -69.2 -41.11 77.54 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.701 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -62.27 -28.18 69.53 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.31 9.7 41.56 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.8 0.809 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.441 -0.88 0 N-CA-C 111.293 0.109 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.25 -39.76 86.16 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 76.6 mtp180 -66.48 -42.67 87.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.674 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.412 ' O ' HG13 ' B' ' 50' ' ' ILE . 54.2 ttp180 -58.43 -51.24 70.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.678 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' B' ' 50' ' ' ILE . 40.7 ttt180 -56.38 -37.89 70.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.831 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.65 -46.26 89.56 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 4.9 mpt_? -64.94 -32.65 74.47 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.349 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' B' ' 47' ' ' ARG . 81.9 mt -58.94 -52.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.28 -46.23 91.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.466 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 44.6 mm-40 -64.8 -34.86 79.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.046 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 40.0 m -77.14 -32.26 56.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.934 -0.479 . . . . 0.0 111.195 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -75.56 -35.41 60.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.534 0.683 . . . . 0.0 109.44 -178.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 p -71.27 -42.0 69.33 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.885 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.86 -33.23 75.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 7.8 tt -58.62 -56.24 24.73 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.435 1.094 . . . . 0.0 109.115 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.508 ' HE3' ' NE2' ' B' ' 72' ' ' HIS . 37.1 ttpt -52.09 -42.67 63.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.079 0.952 . . . . 0.0 110.541 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -63.44 -55.57 23.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.604 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -30.06 68.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 22.2 mm -64.73 -52.23 57.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.36 -19.64 65.86 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.72 -0.612 . . . . 0.0 111.92 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -82.51 -34.57 27.9 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.133 0.492 . . . . 0.0 111.339 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.22 -37.59 23.38 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.552 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.0 mp -94.3 -33.34 13.26 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.653 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt 49.82 67.94 0.82 Allowed 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 122.512 1.149 . . . . 0.0 112.638 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.63 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.3 mttm -82.75 -78.85 0.2 Allowed 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.372 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 10.7 m-20 -152.92 142.98 22.31 Favored 'General case' 0 CA--C 1.492 -1.254 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.8 p -86.9 -16.24 36.56 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.004 0.43 . . . . 0.0 111.583 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -79.34 -32.55 43.3 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.73 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 15.3 ptp180 -74.99 -37.03 61.96 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.508 ' NE2' ' HE3' ' B' ' 58' ' ' LYS . 3.6 t-160 -48.76 126.65 12.39 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.547 1.139 . . . . 0.0 109.83 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . 0.349 53.9 m 86.23 -27.55 0.08 Allowed 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.541 1.536 . . . . 0.0 113.739 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -90.27 -5.0 56.81 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.829 1.776 . . . . 0.0 106.88 171.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.4 123.04 20.19 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.21 155.21 28.72 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.503 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.448 ' HD2' HD12 ' A' ' 50' ' ' ILE . 34.2 ttmt -50.92 -43.28 59.92 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 123.828 0.705 . . . . 0.0 111.636 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.21 70.39 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.898 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.53 -52.08 9.01 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 60.9 mt -52.83 -50.98 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.901 -1.5 . . . . 0.0 110.657 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.542 ' O ' HG21 ' B' ' 85' ' ' VAL . 6.6 mp -54.78 -53.07 59.98 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.211 0.319 . . . . 0.0 111.495 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.706 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -61.17 -37.33 82.51 Favored 'General case' 0 C--O 1.205 -1.252 0 O-C-N 123.368 0.417 . . . . 0.0 110.997 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.63 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 30.7 tpp -64.26 -38.67 91.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.553 0.692 . . . . 0.0 109.162 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.408 ' OG1' HD22 ' B' ' 57' ' ' LEU . 8.4 m -71.19 -41.86 69.77 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.008 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 60.9 t -59.65 -54.89 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.706 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.5 mtmt -56.1 -42.32 76.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.582 0.753 . . . . 0.0 111.531 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.552 ' CG ' HD11 ' B' ' 65' ' ' LEU . 82.0 t60 -68.22 -32.18 72.2 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.8 pp -74.1 -26.93 60.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 13.0 mmm180 -67.44 -46.84 71.9 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -54.43 -53.76 49.86 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.825 0.703 . . . . 0.0 109.689 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 95.6 mt -63.94 -17.42 63.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.509 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -82.16 -37.86 25.53 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.93 -17.32 10.43 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 117.868 -1.533 . . . . 0.0 114.719 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.63 -1.23 20.71 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.67 0.748 . . . . 0.0 112.576 -173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.286 -2.162 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.424 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 CA--C 1.511 -0.55 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.22 -29.49 67.45 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.53 -41.08 76.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.17 -48.05 81.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.406 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 50' ' ' ILE . 20.5 ttm180 -59.23 -49.09 79.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.09 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.5 ttm180 -65.13 -35.02 79.8 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 123.942 0.897 . . . . 0.0 111.986 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.84 91.37 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -63.71 -35.55 80.93 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 47' ' ' ARG . 95.1 mt -58.07 -57.13 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 122.229 0.211 . . . . 0.0 110.437 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -60.89 -43.08 98.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.029 0.443 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 27.5 mm-40 -66.9 -34.17 77.2 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -76.41 -40.07 51.81 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.08 -43.13 96.37 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -59.72 -53.04 62.67 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.45 -29.27 67.87 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.108 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.13 -55.65 30.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.423 0.689 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -38.98 90.29 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.718 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -62.12 -58.32 8.23 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.494 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.87 -36.99 82.89 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -63.81 -55.79 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.8 OUTLIER -60.74 -39.46 88.75 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.662 -175.44 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.26 -24.83 59.34 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.15 -42.8 16.92 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.181 0.991 . . . . 0.0 109.713 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.88 -33.69 14.82 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.84 -171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt 57.72 73.77 0.45 Allowed 'General case' 0 CA--C 1.499 -1.003 0 CA-C-O 122.817 1.294 . . . . 0.0 110.377 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.67 -60.01 2.71 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 112.03 -2.35 . . . . 0.0 110.659 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 171.58 153.83 0.07 Allowed 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -86.31 -24.15 26.01 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.993 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -73.61 -42.67 61.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.445 ' O ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -77.17 -10.97 59.75 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.305 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.551 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 13.6 t-160 -72.91 -25.49 61.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -96.9 16.2 20.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 26.94 4.67 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.375 1.083 . . . . 0.0 108.435 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 71' ' ' ARG . 1.9 mm? -84.59 127.98 34.35 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.302 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -106.36 154.88 20.15 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 104.759 -2.312 . . . . 0.0 104.759 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.593 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.4 ttmt -52.55 -47.01 67.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 118.97 0.805 . . . . 0.0 112.7 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.53 72.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.446 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.76 -32.74 62.16 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.125 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.38 -49.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.725 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 64.9 mt -60.32 -53.03 62.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.556 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.677 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.1 tt0 -61.46 -34.57 75.66 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.785 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 40.2 ttp -62.09 -47.4 84.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -61.79 -37.92 86.16 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.311 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 47.2 t -70.41 -47.74 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.708 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -63.73 -40.32 96.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.724 0.773 . . . . 0.0 110.108 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -72.41 -25.21 61.4 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.412 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.552 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.8 tp -61.54 -40.35 94.36 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.72 -42.34 91.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.83 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.42 -50.59 73.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.737 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.38 -25.11 64.9 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -80.67 -27.85 36.97 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -3.33 54.59 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.427 -177.267 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.219 -0.529 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.08 -40.93 67.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.998 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.18 -49.6 77.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.898 0.749 . . . . 0.0 109.941 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.493 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.5 ttm180 -68.52 -46.69 68.9 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.773 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' B' ' 50' ' ' ILE . 41.2 ttm180 -53.43 -51.39 62.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.664 0.786 . . . . 0.0 112.061 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -54.68 -50.24 68.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.45 -37.89 76.39 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.928 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.6 mt -58.54 -51.8 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.49 -40.63 96.04 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 16.4 mm-40 -69.68 -39.61 76.88 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.343 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.8 p -73.52 -37.75 65.53 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 121.914 -0.491 . . . . 0.0 109.867 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.12 -38.33 90.77 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -61.58 -55.12 34.27 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.751 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.58 -32.29 73.8 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.054 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.76 -58.47 7.95 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.619 0.768 . . . . 0.0 109.572 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -53.02 -44.47 67.35 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.205 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 71.7 m -69.52 -50.01 49.15 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.761 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.57 -33.21 68.89 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.665 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mm -66.85 -48.55 79.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.537 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.458 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.5 OUTLIER -62.36 -34.39 76.59 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.22 -25.84 52.09 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.86 -29.47 40.07 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -100.96 -29.6 12.11 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.688 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt 58.24 65.66 1.24 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-O 122.72 1.248 . . . . 0.0 112.182 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.573 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 67.2 mttm -82.83 -70.52 0.55 Allowed 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.473 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -174.72 140.38 0.58 Allowed 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -80.12 -21.17 43.5 Favored 'General case' 0 N--CA 1.402 -2.851 0 O-C-N 123.721 0.638 . . . . 0.0 110.755 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 7.8 m -64.63 -49.78 69.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.773 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -20.14 61.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-O 121.332 0.587 . . . . 0.0 110.65 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.458 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.0 t-160 -76.78 -19.75 57.23 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.983 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.8 m -85.48 -10.12 56.52 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.675 0.75 . . . . 0.0 111.954 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -150.22 65.97 0.96 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 tp -107.94 131.4 54.58 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.905 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' HE2' ' B' ' 74' ' ' LYS . 81.2 mm-40 -83.44 150.5 26.0 Favored 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.165 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -56.73 -36.34 69.62 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 124.108 0.88 . . . . 0.0 112.284 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.68 71.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.421 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -78.69 -47.55 16.73 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.64 -53.47 31.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.385 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.537 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -57.94 -51.12 70.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.788 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.3 tt0 -62.55 -37.29 85.55 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.75 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.573 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 42.7 tpp -64.59 -40.47 95.58 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.493 0.663 . . . . 0.0 109.768 -173.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 18.7 m -65.79 -42.4 90.81 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.214 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 81' ' ' LEU . 58.5 t -66.94 -49.31 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.265 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.673 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.4 mtmt -60.29 -41.97 94.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.517 ' CG ' HD13 ' B' ' 65' ' ' LEU . 18.9 t-80 -69.12 -27.51 65.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.062 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.66 -35.95 77.91 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 19.9 mmm180 -73.07 -35.71 66.73 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.93 -41.73 92.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.87 -44.05 77.99 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.56 -28.15 68.95 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -7.33 59.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.617 . . . . 0.0 110.881 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.61 5.37 24.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.67 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 C--N 1.285 -2.214 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.775 -176.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.49 -31.23 71.84 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.641 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -69.44 -44.31 71.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -66.2 -45.03 82.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.545 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.0 ttm180 -61.42 -45.94 92.22 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.858 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.8 ttp180 -61.46 -38.89 88.88 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 123.533 0.521 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.44 -50.46 73.62 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.72 -39.9 86.19 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 123.386 0.429 . . . . 0.0 109.962 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.0 mt -57.35 -55.67 19.54 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 C-N-CA 123.137 0.575 . . . . 0.0 110.246 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.47 -39.98 94.83 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.649 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 45.0 mt-10 -59.15 -45.55 90.7 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 120.955 0.407 . . . . 0.0 111.037 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 -40.9 66.46 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.51 -37.96 88.31 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.373 0.669 . . . . 0.0 109.949 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 t -63.5 -52.39 61.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.22 -32.43 72.62 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.33 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.94 -56.86 15.56 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.087 0.955 . . . . 0.0 110.606 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -63.72 -31.57 72.79 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.913 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.7 m -65.81 -54.21 29.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.04 -38.62 89.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.681 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 29.9 mm -63.2 -51.03 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.2 -32.45 74.04 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 51.3 m-20 -77.76 -25.85 49.44 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.83 -18.57 37.16 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.837 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 21.2 mt -101.38 -34.86 9.43 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.276 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.638 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.7 mmpt? 60.52 39.07 18.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 124.245 0.965 . . . . 0.0 109.889 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE2' ' CD1' ' A' ' 65' ' ' LEU . 65.0 mttm -64.45 -74.98 0.09 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.392 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -168.09 143.35 3.68 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 36.2 t -86.86 -17.06 34.25 Favored 'General case' 0 N--CA 1.413 -2.279 0 O-C-N 123.353 0.408 . . . . 0.0 110.747 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 m -70.32 -48.01 58.48 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -75.48 -12.75 60.3 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.17 -178.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 16.7 t-80 -60.99 -37.41 82.37 Favored 'General case' 0 C--O 1.223 -0.326 0 O-C-N 123.525 0.515 . . . . 0.0 109.923 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -82.85 -1.2 51.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.249 0.547 . . . . 0.0 111.664 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.33 13.55 17.83 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 109.318 -179.153 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -81.01 111.62 17.66 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.989 175.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -83.47 164.01 20.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 81' ' ' LEU . 32.5 ttmt -50.06 -53.07 29.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.91 67.83 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.505 0.669 . . . . 0.0 111.921 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.26 -38.57 35.16 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.561 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 65.8 mt -70.27 -52.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.143 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 85' ' ' VAL . 8.2 mp -50.99 -52.92 37.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.957 0.785 . . . . 0.0 111.861 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 33.5 tt0 -67.08 -36.58 82.31 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.106 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 56.2 ttm -63.38 -37.5 87.5 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.36 0.6 . . . . 0.0 109.607 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 m -65.33 -47.96 74.7 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.336 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 46.1 t -63.04 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.673 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.3 mtmt -63.8 -34.11 77.17 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.603 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.443 ' ND1' HD22 ' A' ' 65' ' ' LEU . 42.0 t60 -73.26 -27.2 61.44 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.983 -0.448 . . . . 0.0 110.538 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.42 -36.17 76.44 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 15.1 mmm-85 -66.66 -44.87 80.71 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.029 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.437 ' HA ' ' HE ' ' A' ' 93' ' ' ARG . 96.4 m-20 -55.99 -49.39 73.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.052 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.96 -43.75 98.19 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 123.865 0.728 . . . . 0.0 110.584 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -59.8 -30.13 68.7 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 90' ' ' ASN . 6.5 ppt_? -106.31 5.51 29.73 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.757 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 121.841 0.829 . . . . 0.0 109.213 177.333 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--O 1.222 -0.353 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -67.15 -46.33 74.37 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.514 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 79.5 mtp180 -61.74 -50.19 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.549 178.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' B' ' 50' ' ' ILE . 31.8 ttm180 -56.51 -53.35 58.53 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' B' ' 50' ' ' ILE . 31.4 ttp180 -50.91 -46.34 60.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.936 0.895 . . . . 0.0 111.331 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -58.77 -54.07 51.29 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.221 0.608 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.514 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 12.1 mpt_? -59.7 -33.31 71.43 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.591 0.557 . . . . 0.0 112.081 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.5 mt -59.64 -51.16 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.044 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -66.15 -40.61 90.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.802 0.334 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 41.5 mt-10 -60.81 -43.42 98.21 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.679 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 21.8 p -76.95 -32.55 57.38 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.094 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.24 -38.65 68.88 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.564 0.697 . . . . 0.0 109.287 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 p -66.55 -45.29 79.85 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.622 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.1 -34.31 74.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.039 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.64 -58.19 8.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.359 1.064 . . . . 0.0 111.066 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 56.6 pttt -61.6 -34.9 76.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.2 m -63.55 -53.83 45.71 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.421 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.81 -31.83 73.24 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.88 -50.92 49.95 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 CA-C-O 121.435 0.636 . . . . 0.0 110.671 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -33.06 74.47 Favored 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' B' ' 59' ' ' THR . 4.0 t70 -77.66 -27.95 51.1 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.978 0.511 . . . . 0.0 111.875 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -36.35 58.53 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.784 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.0 mp -101.98 -30.08 11.42 Favored 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 118.576 -1.249 . . . . 0.0 111.802 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt 58.22 62.95 1.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.95 0.881 . . . . 0.0 111.796 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' SD ' ' B' ' 83' ' ' MET . 35.3 mttp -66.86 -79.12 0.05 Allowed 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 113.563 -1.653 . . . . 0.0 111.408 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.475 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 13.2 t70 -174.84 146.25 0.91 Allowed 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -88.08 -16.05 34.58 Favored 'General case' 0 N--CA 1.409 -2.491 0 C-N-CA 119.544 -0.862 . . . . 0.0 112.331 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' SER . . . . . 0.475 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 32.7 t -71.78 -44.55 63.81 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 9.2 ptp180 -65.3 -36.88 85.42 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 25.5 t60 -57.99 -28.64 64.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.069 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -83.2 -2.93 56.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.764 0.792 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -120.54 11.78 11.4 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.614 1.197 . . . . 0.0 108.352 178.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 33.7 mt -84.87 115.21 22.64 Favored 'General case' 0 N--CA 1.408 -2.561 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.655 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.498 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 89.6 mt-10 -92.11 166.52 12.61 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.893 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -49.49 -49.88 43.86 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.533 0.733 . . . . 0.0 112.94 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.83 70.02 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.182 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.498 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 6.7 m-20 -78.62 -47.37 17.24 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.948 0.88 . . . . 0.0 108.788 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 86.6 mt -57.44 -49.47 80.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.859 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.477 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.4 mp -51.31 -52.82 41.86 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.414 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 33.0 tt0 -67.92 -33.26 74.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.888 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.587 ' SD ' ' HE2' ' B' ' 67' ' ' LYS . 50.5 tpp -63.4 -36.9 85.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.779 0.799 . . . . 0.0 109.229 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.3 m -65.62 -47.39 75.79 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.031 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 81' ' ' LEU . 39.6 t -64.76 -40.51 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.341 0.591 . . . . 0.0 110.528 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.6 mtmt -67.2 -35.25 79.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.057 0.456 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.579 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.9 t-160 -72.29 -27.96 62.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.89 97.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -61.06 -44.58 97.17 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.449 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 92.2 m-20 -56.08 -45.99 79.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.75 -43.34 72.44 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.693 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.52 -12.1 40.99 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -101.2 -10.21 20.59 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.646 0.736 . . . . 0.0 110.395 -176.308 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.33 -0.94 40.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.435 -1.182 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 CA--C 1.495 -1.143 0 CA-C-O 120.625 0.25 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.64 -32.43 67.93 Favored 'General case' 0 C--O 1.209 -1.031 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.708 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.33 -44.26 88.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.105 0.479 . . . . 0.0 110.644 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.23 -37.01 85.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.505 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.9 ttm180 -66.07 -46.51 77.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.815 175.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' A' ' 50' ' ' ILE . 32.8 ttp180 -61.44 -39.67 91.69 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 124.473 1.109 . . . . 0.0 111.712 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.89 -47.19 83.53 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -60.6 -42.82 97.55 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.858 0.723 . . . . 0.0 110.965 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 47' ' ' ARG . 93.3 mt -54.46 -52.6 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 123.199 0.6 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.49 -45.19 84.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.991 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 13.3 mm-40 -63.91 -35.22 79.93 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.385 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -75.18 -48.47 23.41 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.8 tt -62.28 -36.44 82.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.737 0.779 . . . . 0.0 110.241 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -68.59 -42.52 78.08 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.062 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.67 -30.89 63.18 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.237 -0.914 . . . . 0.0 109.708 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.568 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.5 tm? -51.35 -59.37 4.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.26 1.824 . . . . 0.0 109.278 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.892 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -66.04 -54.44 25.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.758 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.88 -32.69 72.53 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.527 HG23 ' ND1' ' A' ' 87' ' ' HIS . 11.7 mm -62.41 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.011 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.453 HD21 ' ND1' ' A' ' 72' ' ' HIS . 7.5 tp -71.21 -31.84 68.1 Favored 'General case' 0 C--O 1.183 -2.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.382 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 -27.28 61.18 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.297 0.57 . . . . 0.0 111.593 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.94 59.12 Favored 'General case' 0 N--CA 1.423 -1.817 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.97 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD12 ' ND1' ' A' ' 87' ' ' HIS . 7.3 mp -104.64 -30.63 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt 56.38 58.93 3.9 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.048 0.939 . . . . 0.0 113.094 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.57 -72.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.566 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -162.22 144.87 11.37 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 124.182 0.993 . . . . 0.0 109.545 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 t -78.45 -32.73 48.63 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -60.31 -47.23 86.92 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.151 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.452 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.64 -16.55 59.52 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.322 -177.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.453 ' ND1' HD21 ' A' ' 62' ' ' LEU . 47.7 t60 -71.97 -30.93 65.78 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -91.59 10.5 27.78 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.403 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -131.02 24.68 4.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 38.7 mt -82.38 115.68 21.53 Favored 'General case' 0 N--CA 1.415 -2.19 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.979 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.12 151.2 31.5 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 1.7 ttmp? -54.52 -41.7 69.97 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.313 0.578 . . . . 0.0 111.466 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -26.28 65.96 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.9 -46.71 34.16 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.5 mt -58.79 -51.37 72.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.6 mp -55.61 -53.03 61.53 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.9 tt0 -62.99 -33.81 76.21 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.634 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.23 -39.86 82.2 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.501 HG23 ' CD2' ' A' ' 57' ' ' LEU . 12.5 m -67.64 -45.69 74.59 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.676 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 61.9 t -64.4 -41.46 92.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.588 0.709 . . . . 0.0 110.57 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.74 -39.26 87.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.211 0.529 . . . . 0.0 111.013 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.527 ' ND1' HG23 ' A' ' 61' ' ' ILE . 34.7 m170 -67.17 -26.92 66.88 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.747 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.9 tp -58.36 -48.26 81.15 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 5.5 mpt_? -57.53 -48.71 78.55 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.865 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.415 ' HA ' ' NE ' ' A' ' 93' ' ' ARG . 84.4 m-20 -54.87 -51.24 66.58 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.12 -17.22 59.69 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -74.92 -38.33 61.83 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.293 0.568 . . . . 0.0 109.875 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.6 ppt_? -100.79 17.36 22.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.055 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-O 121.508 0.67 . . . . 0.0 109.907 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 12.3 pt-20 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.27 -40.56 70.85 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.547 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -60.03 -41.63 92.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.832 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.6 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.2 ttm180 -61.32 -57.76 11.0 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.588 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 43' ' ' GLU 0.364 15.2 ptt180 -66.31 -32.59 74.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -176.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -60.48 -46.42 90.17 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -31.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.6 HG13 ' O ' ' B' ' 46' ' ' ARG . 87.3 mt -58.87 -54.78 29.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -60.52 -47.79 84.62 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.083 0.153 . . . . 0.0 110.988 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 14.5 mm-40 -60.38 -40.8 92.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.912 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -76.35 -40.36 51.46 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.654 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -61.41 -39.25 90.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.952 0.901 . . . . 0.0 108.863 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -63.82 -45.78 88.08 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.841 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.27 -28.69 59.9 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.708 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.501 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -54.69 -59.0 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 126.128 1.771 . . . . 0.0 107.353 174.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.41 -47.62 78.63 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.232 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -59.77 -59.87 4.74 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.585 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.63 -30.51 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 33.0 mm -66.04 -52.81 44.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.113 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.73 -22.35 62.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.474 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 12.9 t70 -78.87 -26.32 43.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.402 0.62 . . . . 0.0 111.04 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 -31.71 25.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 20.3 mt -96.09 -38.14 10.31 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 39.9 mtmt 48.44 68.89 0.62 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 112.834 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -75.45 -60.69 2.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.12 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.99 145.96 1.92 Allowed 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.2 m -87.6 -15.67 36.69 Favored 'General case' 0 C--N 1.277 -2.564 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.273 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -45.38 62.38 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -6.83 59.35 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.64 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.28 -36.12 68.25 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 36.9 m -84.1 10.58 9.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.121 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -138.81 76.58 1.58 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.702 1.239 . . . . 0.0 109.864 175.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.406 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 1.2 mm? -128.16 126.21 40.62 Favored 'General case' 0 N--CA 1.405 -2.707 0 CA-C-N 113.208 -1.814 . . . . 0.0 108.506 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -93.0 152.32 19.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.453 ' O ' HD11 ' B' ' 81' ' ' LEU . 33.0 ttmt -48.05 -48.15 33.34 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.54 71.07 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.638 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.21 -39.15 33.98 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.732 -175.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.9 mt -64.09 -49.48 81.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.341 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.518 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.6 mp -53.37 -48.94 68.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.836 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -64.89 -39.88 94.23 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.626 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 45.3 ttm -66.33 -31.65 72.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.57 . . . . 0.0 109.571 -174.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.459 HG21 ' CD2' ' B' ' 57' ' ' LEU . 7.2 m -70.1 -48.48 57.47 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.841 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.626 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 46.7 t -63.41 -39.23 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.645 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.2 mtmt -68.91 -36.66 78.29 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 121.677 -0.64 . . . . 0.0 110.955 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.478 ' CD2' HD21 ' B' ' 65' ' ' LEU . 21.1 t-160 -69.5 -27.82 65.52 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.8 tp -59.82 -45.89 90.95 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.321 175.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 5.3 mpt_? -58.64 -48.42 81.09 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -54.81 -50.31 68.86 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 123.871 0.732 . . . . 0.0 111.999 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.18 -43.33 87.2 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.072 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.04 -14.32 53.45 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 8.3 ppt_? -113.42 7.75 17.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.178 0.513 . . . . 0.0 111.146 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.43 -11.06 38.77 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.829 0.823 . . . . 0.0 108.997 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.421 -1.878 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.9 -174.304 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 CA--C 1.507 -0.673 0 CA-C-O 120.945 0.403 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.72 -27.69 55.53 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.285 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? -69.31 -37.47 77.77 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -66.71 -44.38 81.82 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.002 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 50' ' ' ILE . 49.6 ttp180 -55.66 -51.03 68.62 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HA ' HD13 ' A' ' 50' ' ' ILE . 71.4 ttt180 -53.26 -40.0 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.826 1.251 . . . . 0.0 112.123 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.41 -53.32 58.12 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 123.586 0.554 . . . . 0.0 110.429 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -67.27 -25.49 66.09 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.685 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 47' ' ' ARG . 82.0 mt -60.37 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -61.9 -42.96 99.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.618 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 52.8 mt-10 -56.85 -39.48 74.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.812 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -77.02 -40.11 47.7 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.108 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -63.21 -40.43 97.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.302 0.641 . . . . 0.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.24 -51.37 66.51 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.434 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -68.26 -31.04 70.23 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.504 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 6.8 tt -53.32 -58.24 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.428 1.091 . . . . 0.0 109.229 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 26.6 ttpp -55.55 -47.12 76.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.597 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.2 m -61.14 -47.48 86.02 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.396 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.77 -37.85 58.87 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 34.5 mm -61.97 -44.96 99.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.147 0.499 . . . . 0.0 109.852 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.613 HD23 ' CG ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -61.47 -36.68 81.1 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.355 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 10.9 t70 -76.18 -25.0 54.78 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.977 0.418 . . . . 0.0 112.069 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.12 -26.15 31.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.428 0.632 . . . . 0.0 110.105 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 87' ' ' HIS . 18.1 mt -105.12 -39.85 6.07 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.663 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.611 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 41.0 mtmt 44.19 58.82 3.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 124.502 1.121 . . . . 0.0 111.274 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.505 ' HD2' ' NE2' ' A' ' 72' ' ' HIS . 93.5 mttt -67.54 -66.32 0.58 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.938 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 71' ' ' ARG . 34.3 t0 -169.85 138.23 1.77 Allowed 'General case' 0 CA--C 1.472 -2.026 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.3 m -78.12 -21.86 49.73 Favored 'General case' 0 C--N 1.262 -3.208 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.945 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -66.15 -54.95 19.19 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.679 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -66.58 -36.58 82.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.287 0.565 . . . . 0.0 110.947 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.613 ' CG ' HD23 ' A' ' 62' ' ' LEU . 80.5 m-70 -77.6 8.58 4.19 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.2 m -105.24 9.02 34.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.867 0.841 . . . . 0.0 109.147 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -135.73 24.69 3.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' HD1' ' A' ' 72' ' ' HIS . 1.3 tp -85.22 118.53 24.83 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-O 121.741 0.781 . . . . 0.0 111.225 -175.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -76.17 157.93 32.23 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.211 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -51.92 -46.45 64.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.412 0.625 . . . . 0.0 110.861 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -31.59 67.43 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.18 -42.29 26.43 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.681 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.4 mt -63.47 -47.64 90.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.495 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.1 mp -57.27 -53.04 62.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.634 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 13.9 tt0 -56.19 -40.12 73.47 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.2 ttp -68.05 -34.43 76.44 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.187 0.518 . . . . 0.0 109.763 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.3 m -69.55 -45.09 69.56 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.093 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 81' ' ' LEU . 38.5 t -67.77 -41.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.682 0.753 . . . . 0.0 110.358 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 62.1 mttt -72.21 -30.12 64.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.548 ' CD2' HD22 ' A' ' 65' ' ' LEU . 12.1 t-160 -69.91 -28.42 65.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.2 tt -59.07 -50.57 73.58 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.513 HH21 ' HG2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.09 -35.05 78.96 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.029 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 89.4 m-20 -63.49 -42.85 98.54 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.188 0.518 . . . . 0.0 110.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.66 -43.22 73.0 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.934 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -66.28 -25.32 66.81 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.67 -2.89 58.83 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.266 0.555 . . . . 0.0 110.688 -178.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.897 0 CA-C-O 121.758 0.79 . . . . 0.0 110.008 179.816 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 CA--C 1.502 -0.867 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -71.65 -42.71 67.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.464 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -58.41 -53.63 56.09 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.436 1.085 . . . . 0.0 109.836 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.525 ' O ' HG13 ' B' ' 50' ' ' ILE . 36.1 ttm180 -57.64 -56.17 25.31 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.665 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -53.61 -49.39 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.887 0.875 . . . . 0.0 111.709 -176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.77 -50.8 72.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.301 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -62.53 -33.12 74.27 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.1 mt -61.52 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -65.85 -39.92 91.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.829 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.4 mm-40 -63.81 -41.22 97.93 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.669 0.606 . . . . 0.0 112.301 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 14.5 p -75.82 -38.49 58.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.333 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.86 -35.28 80.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -64.33 -52.03 60.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.221 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.423 ' HG3' HG13 ' A' ' 85' ' ' VAL . 11.6 pt20 -67.82 -31.77 71.86 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.328 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.13 -58.12 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.062 0.945 . . . . 0.0 109.311 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -50.88 -41.89 58.63 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 125.604 1.562 . . . . 0.0 110.893 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 m -67.44 -56.21 10.53 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.517 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -38.09 81.89 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 29.3 mm -67.16 -50.03 67.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -30.38 69.39 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 119.064 -1.054 . . . . 0.0 108.868 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.61 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 65.3 m-20 -79.67 -24.95 41.45 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.29 27.26 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.649 -0.82 . . . . 0.0 112.296 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 65' ' ' LEU . 4.9 mp -97.27 -24.22 15.78 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.26 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.61 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 10.3 mmpt? 58.0 62.12 2.15 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.5 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.66 -78.25 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.839 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t0 176.94 150.74 0.16 Allowed 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 m -86.33 -18.57 31.59 Favored 'General case' 0 C--N 1.276 -2.596 0 O-C-N 123.469 0.481 . . . . 0.0 111.5 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -66.67 -52.24 47.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.709 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -32.82 74.62 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 121.337 0.589 . . . . 0.0 110.366 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.0 -15.45 61.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.783 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -66.22 -17.71 64.9 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.765 0.793 . . . . 0.0 111.224 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -142.62 73.6 1.41 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.595 174.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' B' ' 79' ' ' ASP . 4.2 tp -115.87 126.73 54.33 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -78.44 159.99 27.97 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -54.47 -39.74 67.76 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.586 0.708 . . . . 0.0 110.799 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.78 71.85 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.496 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.413 ' CB ' ' HG ' ' B' ' 75' ' ' LEU . 64.8 m-20 -79.09 -44.05 22.88 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.801 0.81 . . . . 0.0 109.017 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -49.06 83.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.507 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.3 mp -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.828 0.346 . . . . 0.0 110.899 176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.7 tt0 -59.86 -38.65 82.73 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.225 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 33.8 tpp -70.59 -27.34 64.03 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.338 0.59 . . . . 0.0 109.914 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.506 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 21.6 m -70.78 -44.02 67.52 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.505 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 39.1 t -70.56 -39.22 75.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.314 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.3 mttt -69.45 -35.85 76.06 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 122.091 -0.381 . . . . 0.0 111.182 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.419 ' CG ' HD13 ' B' ' 65' ' ' LEU . 73.5 t60 -65.4 -31.87 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.9 tp -58.29 -47.35 83.92 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.993 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -59.54 -42.29 91.98 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.193 0.308 . . . . 0.0 110.817 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -59.83 -48.78 80.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.413 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.4 -25.91 61.67 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.131 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -73.34 -31.38 63.94 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 120.857 0.361 . . . . 0.0 111.424 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.86 8.1 45.12 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.15 -31.15 72.24 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.696 0.76 . . . . 0.0 109.448 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.407 -2.612 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.418 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 CA--C 1.492 -1.276 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.25 -24.53 60.47 Favored 'General case' 0 C--O 1.214 -0.81 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.645 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -71.9 -44.96 62.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.26 -45.77 92.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.573 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' ILE . 37.2 ttm180 -57.27 -49.79 74.95 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.734 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HA ' HD13 ' A' ' 50' ' ' ILE . 51.0 ttt180 -55.31 -46.98 76.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.994 0.918 . . . . 0.0 111.194 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.54 85.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -38.71 81.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 122.883 0.473 . . . . 0.0 111.64 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.8 mt -60.03 -52.85 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.544 0.738 . . . . 0.0 109.732 176.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.6 -43.32 99.12 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.606 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.85 -43.23 99.36 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.713 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -73.56 -36.33 65.6 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.542 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 tt -68.72 -37.16 79.27 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -66.85 -52.44 43.59 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -62.59 -32.02 72.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.965 0.412 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.69 -58.54 7.88 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 123.992 0.917 . . . . 0.0 110.354 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -28.39 69.63 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -68.91 -53.0 23.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.172 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.28 -38.43 75.06 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.7 mm -59.57 -52.61 58.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 121.368 0.604 . . . . 0.0 111.413 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -33.03 75.01 Favored 'General case' 0 C--O 1.204 -1.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.34 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.682 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 15.5 t70 -77.38 -31.42 54.24 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.351 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.82 64.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.521 HD12 ' CD2' ' A' ' 87' ' ' HIS . 4.6 mp -109.39 -21.41 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.55 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.682 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER 56.11 41.49 29.47 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 124.945 1.298 . . . . 0.0 109.845 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 68.1 mttm -49.67 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.642 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.465 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 14.1 t70 -172.0 140.05 1.18 Allowed 'General case' 0 CA--C 1.479 -1.777 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 m -87.86 -16.47 33.91 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.465 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 58.0 m -70.06 -40.16 75.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.108 -0.37 . . . . 0.0 110.173 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 10.4 ptp180 -72.16 -39.03 69.01 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 55.9 t60 -50.77 -39.66 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 111.811 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 p -91.12 18.2 7.15 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.409 0.623 . . . . 0.0 111.87 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -142.38 19.83 2.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 21.0 mt -76.44 123.18 25.61 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.327 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.24 150.6 23.8 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.7 ttmt -47.47 -45.63 26.26 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.29 74.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.01 -40.49 53.47 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.914 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.431 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.3 mt -62.34 -47.52 92.67 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.211 -1.358 . . . . 0.0 110.642 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 70.0 mt -59.62 -51.89 67.86 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.059 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 15.8 tt0 -58.63 -38.87 78.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.458 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.407 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 36.3 tpp -63.45 -35.47 80.55 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.979 0.895 . . . . 0.0 108.842 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.4 m -75.48 -43.7 47.9 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.887 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.7 t -64.0 -46.2 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 109.913 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 37.8 mttm -63.37 -32.96 74.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.341 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.521 ' CD2' HD12 ' A' ' 65' ' ' LEU . 11.6 t-160 -72.39 -29.64 63.94 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.213 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.1 pp -72.73 -29.03 63.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 7.4 mmm-85 -64.78 -45.47 86.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.68 -50.76 72.59 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.55 -41.99 98.17 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.857 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.37 -27.78 69.31 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -4.13 26.28 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.457 0.646 . . . . 0.0 111.386 -177.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 120.333 0.111 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -70.92 -43.33 68.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -59.77 -46.27 89.68 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.163 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 21.9 ttm180 -57.03 -56.26 24.1 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 124.107 0.879 . . . . 0.0 109.427 174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' B' ' 50' ' ' ILE . 46.4 ttp180 -54.98 -46.78 75.13 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.569 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -60.46 -46.47 89.93 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.97 -26.96 64.34 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.208 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.4 mt -59.88 -50.89 78.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.18 -44.38 95.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.929 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 47.9 mt-10 -55.55 -47.74 75.87 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.236 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -74.76 -44.15 51.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.283 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.83 -41.1 99.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.765 0.426 . . . . 0.0 110.135 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -61.34 -53.64 54.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.183 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -30.61 69.53 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.183 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.54 -58.04 9.75 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.79 -42.2 75.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.063 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -62.52 -57.58 10.68 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.178 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.83 -34.08 77.34 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.957 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.71 -47.56 88.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.552 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' HD1' ' B' ' 72' ' ' HIS . 1.0 OUTLIER -66.79 -26.97 67.21 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.488 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 29.3 t70 -82.71 -31.18 28.64 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.379 0.609 . . . . 0.0 112.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.1 41.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.218 0.532 . . . . 0.0 110.508 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.3 -38.14 9.78 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.726 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 30.8 mtmt 54.79 69.34 0.74 Allowed 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.986 0.898 . . . . 0.0 111.864 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -75.81 -73.09 0.28 Allowed 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.511 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.4 149.49 7.09 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -87.04 -15.46 38.55 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.721 0.638 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -77.05 -43.11 35.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.481 0.658 . . . . 0.0 109.319 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -10.92 60.05 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.825 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.553 ' HA ' ' CD2' ' B' ' 75' ' ' LEU . 76.9 t60 -65.87 -30.27 70.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.01 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -79.36 -4.32 50.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.651 0.739 . . . . 0.0 111.505 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 27.26 8.32 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.532 1.158 . . . . 0.0 108.484 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -79.74 119.17 22.29 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.976 174.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.417 ' O ' HG13 ' B' ' 80' ' ' ILE . 11.3 mm-40 -93.96 151.62 19.42 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.416 ' O ' HD12 ' B' ' 81' ' ' LEU . 33.8 ttmt -52.01 -45.7 64.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 118.75 0.705 . . . . 0.0 110.931 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.5 70.93 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.639 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -79.79 -42.14 25.04 Favored 'General case' 0 C--O 1.198 -1.652 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 76' ' ' GLU . 75.3 mt -58.74 -53.26 49.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.516 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.515 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.9 mp -55.91 -52.54 63.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.497 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 22.1 tt0 -61.02 -37.35 82.25 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.555 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.16 -32.63 74.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.588 0.708 . . . . 0.0 109.209 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.6 m -74.99 -43.72 52.3 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.993 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.515 HG22 ' O ' ' B' ' 81' ' ' LEU . 59.5 t -66.66 -41.76 88.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 79.3 mttt -65.39 -32.05 73.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' B' ' 91' ' ' LEU . 11.8 t-80 -66.21 -34.52 78.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.079 174.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -61.27 -43.99 97.97 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -64.39 -43.98 92.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.064 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 80.1 m-20 -58.37 -50.32 74.1 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' B' ' 87' ' ' HIS . 94.7 mt -63.9 -42.77 97.37 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.967 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -69.66 -12.21 61.45 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -105.22 1.31 28.07 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.442 0.639 . . . . 0.0 110.996 -178.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.64 11.91 25.02 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.45 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.25 1.108 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -178.248 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.74 -24.44 58.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -69.92 -42.75 72.9 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 79.8 mtp180 -57.5 -43.63 84.36 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.531 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -63.59 -52.01 62.82 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.574 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 50' ' ' ILE . 53.3 ttt180 -54.01 -45.84 71.61 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 123.568 0.747 . . . . 0.0 111.107 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.67 -49.1 78.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.981 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 45' ' ' ARG . 38.3 mtm180 -61.61 -35.93 79.26 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 123.282 0.364 . . . . 0.0 111.395 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.5 mt -57.98 -52.38 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.13 -41.65 99.35 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 34.5 mm-40 -59.45 -41.97 90.88 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.439 0.462 . . . . 0.0 111.874 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -76.48 -41.91 45.49 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -176.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -64.29 -42.39 96.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.581 0.752 . . . . 0.0 110.073 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 m -68.53 -42.17 78.87 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.055 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.35 -31.18 65.4 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.83 -0.544 . . . . 0.0 110.175 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 2.0 tm? -53.57 -58.72 6.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.856 1.662 . . . . 0.0 108.067 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -55.4 -50.28 70.16 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.267 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.4 m -56.57 -58.09 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.302 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.51 -32.8 74.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.44 -49.71 57.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 20.4 t70 -78.63 -39.13 38.01 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 123.913 0.885 . . . . 0.0 112.549 -178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -37.46 59.95 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.115 0.483 . . . . 0.0 110.794 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 87' ' ' HIS . 6.0 mp -94.2 -28.15 15.8 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.708 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 27.3 mtmt 52.39 58.37 5.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 123.052 1.406 . . . . 0.0 109.049 -176.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.529 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 30.0 mmmt -51.23 -70.44 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 110.783 -2.917 . . . . 0.0 111.209 -175.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.631 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 34.2 t70 178.5 147.5 0.17 Allowed 'General case' 0 CA--C 1.467 -2.225 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -87.21 -20.56 26.77 Favored 'General case' 0 N--CA 1.399 -2.992 0 O-C-N 123.611 0.569 . . . . 0.0 111.852 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.631 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 70.4 m -78.41 -37.7 43.25 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.283 0.564 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.504 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.23 -6.58 59.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.492 0.663 . . . . 0.0 110.315 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 25.1 t-80 -90.22 170.36 10.35 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m 76.15 -54.25 0.6 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.939 1.295 . . . . 0.0 111.924 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 38.81 1.28 Allowed 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.658 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 13.2 tp -94.26 110.8 22.52 Favored 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 112.967 -1.924 . . . . 0.0 106.23 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.64 149.6 41.89 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.918 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.437 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.2 ttmt -48.57 -44.92 37.13 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 123.843 0.857 . . . . 0.0 112.746 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.97 72.0 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.903 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.24 -36.52 39.82 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.658 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 95.5 mt -60.52 -54.59 32.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.036 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 77' ' ' LYS . 9.0 mp -55.15 -52.88 61.87 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.901 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.62 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 pt-20 -71.48 -23.8 61.88 Favored 'General case' 0 C--O 1.189 -2.114 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.529 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 38.6 tpp -64.51 -42.91 95.51 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.664 0.745 . . . . 0.0 109.052 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.486 HG21 ' CD2' ' A' ' 57' ' ' LEU . 6.2 m -60.63 -44.09 96.76 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.523 176.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 87.4 t -61.35 -41.7 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.434 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 52.4 mttm -65.33 -42.89 92.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.49 ' CD2' HD23 ' B' ' 88' ' ' LEU . 27.2 t60 -66.77 -26.95 67.21 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.511 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 13.8 tp -63.46 -43.14 98.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 11.2 mmm-85 -65.54 -43.51 89.72 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.111 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -55.82 -55.14 36.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.071 0.857 . . . . 0.0 111.022 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.99 -35.43 80.67 Favored 'General case' 0 C--O 1.205 -1.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.382 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -67.41 -23.5 65.56 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 8.4 ppt_? -111.9 16.12 20.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.273 0.558 . . . . 0.0 111.419 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.598 0.714 . . . . 0.0 110.441 178.012 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -72.22 -41.8 66.47 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -59.08 -48.93 79.81 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.501 ' O ' HG13 ' B' ' 50' ' ' ILE . 33.3 ttm180 -60.3 -55.04 38.56 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.101 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.9 ttt180 -51.79 -47.78 64.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.61 0.764 . . . . 0.0 110.498 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.83 -52.76 63.83 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.905 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -64.28 -31.33 72.48 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 123.144 0.277 . . . . 0.0 110.985 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.2 mt -61.49 -49.45 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.31 0.576 . . . . 0.0 109.507 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -66.2 -39.03 89.37 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.274 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.7 mm-40 -58.46 -44.19 89.15 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 123.565 0.54 . . . . 0.0 111.099 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.3 p -76.04 -43.29 44.63 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.404 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.31 -42.71 96.12 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.564 0.697 . . . . 0.0 109.487 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.5 m -65.73 -48.11 73.06 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.786 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.32 -29.65 66.43 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.481 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -55.83 -58.41 7.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.071 0.948 . . . . 0.0 110.69 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.432 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 59.5 pttt -63.1 -36.26 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 88.3 m -59.17 -57.17 14.23 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 123.899 0.749 . . . . 0.0 110.65 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.22 -36.35 74.49 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mm -63.09 -49.56 82.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.451 0.643 . . . . 0.0 110.562 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.99 -34.91 78.77 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.548 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.3 t70 -77.41 -25.67 50.96 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 123.289 0.636 . . . . 0.0 111.798 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.29 -36.66 63.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.964 0.411 . . . . 0.0 110.232 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.58 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.7 mp -96.18 -32.21 12.59 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.759 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.548 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 24.5 mtmt 55.89 58.42 4.44 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-O 122.618 1.199 . . . . 0.0 109.751 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -63.59 -69.68 0.26 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 112.347 -2.206 . . . . 0.0 111.189 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.56 ' OD2' ' HB2' ' B' ' 70' ' ' SER . 13.7 t70 179.98 147.25 0.26 Allowed 'General case' 0 CA--C 1.47 -2.1 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -86.77 -23.95 25.25 Favored 'General case' 0 N--CA 1.399 -3.011 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.98 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' SER . . . . . 0.56 ' HB2' ' OD2' ' B' ' 68' ' ' ASP . 35.2 m -69.11 -43.28 74.79 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.173 0.511 . . . . 0.0 109.721 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.488 HH12 HD21 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -76.23 -9.55 58.72 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.067 176.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.412 ' CD2' ' HG ' ' B' ' 62' ' ' LEU . 35.2 t-80 -86.97 -22.76 25.38 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 39.0 m -90.03 6.43 42.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.633 0.73 . . . . 0.0 110.982 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.432 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -141.19 74.4 1.46 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.488 HD21 HH12 ' B' ' 71' ' ' ARG . 28.5 mt -135.12 124.6 24.94 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.565 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -88.28 157.97 18.6 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.47 ' O ' HD12 ' B' ' 81' ' ' LEU . 31.9 ttmt -50.84 -46.09 59.96 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.128 0.571 . . . . 0.0 112.175 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.87 71.6 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.84 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -75.96 -39.96 54.93 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.143 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 80.7 mt -61.13 -48.16 90.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.087 176.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 77' ' ' LYS . 7.0 mp -58.46 -51.31 70.39 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.647 177.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.634 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.4 tt0 -62.79 -38.25 89.92 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.824 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.8 ttp -61.39 -37.29 82.89 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.505 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 27.3 m -67.13 -49.87 63.34 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.689 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.468 HG22 ' O ' ' B' ' 81' ' ' LEU . 40.0 t -60.53 -46.45 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 121.144 0.497 . . . . 0.0 110.677 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.9 mtmt -64.31 -37.88 89.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.128 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.58 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.8 t-160 -67.4 -29.58 69.12 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.307 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 87' ' ' HIS . 1.1 tm? -67.34 -35.65 79.83 Favored 'General case' 0 N--CA 1.418 -2.038 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -68.79 -35.19 76.72 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.647 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . 0.48 ' O ' ' HD3' ' B' ' 93' ' ' ARG . 59.2 m-20 -62.04 -46.64 88.29 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.898 0.856 . . . . 0.0 109.158 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.428 ' HA ' ' NE2' ' B' ' 95' ' ' GLN . 94.4 mt -66.16 -39.74 90.02 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.877 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.91 -17.22 63.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -96.48 -23.39 16.59 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 116.27 -2.172 . . . . 0.0 109.973 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.461 ' HB3' HE21 ' B' ' 95' ' ' GLN . . . -95.48 -17.66 21.3 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' B' ' 94' ' ' ALA . 1.1 mt-30 . . . . . 0 C--N 1.309 -1.194 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 CA--C 1.507 -0.683 0 CA-C-O 120.569 0.223 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.0 -24.94 59.65 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.406 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -75.62 -37.25 59.89 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.345 0.593 . . . . 0.0 109.574 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.23 -44.77 71.33 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.304 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.515 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.1 ttm180 -58.99 -47.22 85.97 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.272 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -51.83 -48.1 64.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.185 0.994 . . . . 0.0 111.382 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.64 -48.28 79.91 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -61.61 -43.37 98.98 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.691 0.62 . . . . 0.0 111.075 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 46' ' ' ARG . 88.4 mt -54.99 -52.68 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 121.156 0.503 . . . . 0.0 110.422 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.33 -44.1 97.28 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 37.8 mm-40 -64.63 -37.4 87.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 p -77.26 -34.96 55.67 Favored 'General case' 0 N--CA 1.427 -1.605 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.272 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -73.52 -37.2 65.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.614 0.721 . . . . 0.0 109.403 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -70.65 -41.43 72.13 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.597 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.36 -31.56 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 9.3 tt -56.52 -58.25 8.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 110.233 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -60.75 -36.92 80.13 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.145 0.278 . . . . 0.0 110.982 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -64.0 -51.96 61.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.278 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.16 -27.74 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.4 mm -69.78 -55.53 14.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 CA-C-O 121.207 0.527 . . . . 0.0 109.935 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -58.22 -31.35 67.28 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.75 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 11.8 t70 -81.66 -27.71 33.92 Favored 'General case' 0 C--O 1.203 -1.378 0 C-N-CA 123.425 0.69 . . . . 0.0 111.67 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.85 61.49 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.438 -0.789 . . . . 0.0 111.569 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 65' ' ' LEU . 1.7 mp -115.98 -37.97 3.75 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.91 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.75 ' HE3' ' O ' ' A' ' 63' ' ' ASP 0.315 92.0 mttt 69.43 75.61 0.23 Allowed 'General case' 0 CA--C 1.468 -2.2 0 CA-C-O 123.667 1.699 . . . . 0.0 112.154 -176.057 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.21 -71.03 0.43 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 110.931 -2.85 . . . . 0.0 109.657 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.603 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 38.5 t70 -173.45 126.84 0.42 Allowed 'General case' 0 CA--C 1.467 -2.217 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 30.7 p -84.34 -15.4 46.62 Favored 'General case' 0 N--CA 1.4 -2.958 0 C-N-CA 120.025 -0.67 . . . . 0.0 112.175 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.603 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 44.9 m -71.75 -43.52 65.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -75.38 -12.53 60.27 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 120.807 0.337 . . . . 0.0 110.458 176.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 40.8 t-80 -65.76 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 109.528 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.3 m -82.47 -0.36 46.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.892 0.853 . . . . 0.0 110.349 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.67 19.51 6.16 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -81.67 119.33 23.69 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.665 -178.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 80' ' ' ILE . 80.4 mt-10 -97.37 152.43 18.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.487 ' O ' HD11 ' A' ' 81' ' ' LEU . 25.0 ttpt -47.84 -46.92 31.51 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.2 73.65 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.131 0.491 . . . . 0.0 112.007 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.38 -39.22 59.41 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 76' ' ' GLU . 70.0 mt -66.01 -51.45 60.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.196 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG21 ' A' ' 85' ' ' VAL . 4.5 mp -53.53 -53.39 52.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.896 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.1 tt0 -63.51 -35.51 80.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.2 ttm -65.11 -37.66 88.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.737 0.779 . . . . 0.0 109.339 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.3 m -71.92 -43.11 65.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.464 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 81' ' ' LEU . 40.7 t -64.04 -45.96 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 72.2 mttt -65.72 -36.4 83.51 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.495 -178.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -70.44 -26.34 63.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.25 -34.44 74.79 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 22.7 mmm180 -67.46 -38.16 84.04 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.66 -51.55 69.46 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.291 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.03 -32.88 74.61 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.447 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 11.8 mm-40 -72.97 -11.84 60.72 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -2.4 12.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.898 0 C-N-CA 125.842 1.657 . . . . 0.0 111.279 179.772 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 120.366 0.127 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -74.77 -42.43 58.17 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -60.65 -43.83 97.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.853 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.481 ' O ' HG13 ' B' ' 50' ' ' ILE . 39.5 ttm180 -61.54 -50.44 72.68 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.778 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' B' ' 50' ' ' ILE . 73.4 ttt180 -55.63 -48.48 74.88 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.411 0.685 . . . . 0.0 111.576 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.03 -48.55 81.19 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.974 0.509 . . . . 0.0 110.052 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -37.31 83.22 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.7 mt -57.96 -53.2 48.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 123.106 0.563 . . . . 0.0 109.877 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -56.81 -47.35 80.46 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 65.5 mm-40 -58.24 -41.21 83.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.247 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -76.08 -37.81 57.77 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.754 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -72.69 -37.45 67.87 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.74 -42.98 97.77 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.347 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.04 -34.78 71.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.092 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.2 tt -55.3 -58.25 8.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.537 1.135 . . . . 0.0 109.154 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -47.97 -46.22 32.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 125.446 1.499 . . . . 0.0 111.407 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -70.85 -50.29 36.89 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.279 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.4 mt -69.42 -30.55 68.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mm -66.46 -48.24 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.673 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -38.38 79.82 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.746 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 42.6 m-20 -77.7 -24.39 49.26 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -27.89 61.16 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 120.913 -1.117 . . . . 0.0 111.487 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.695 ' N ' HD12 ' B' ' 65' ' ' LEU . 3.3 mp -110.09 -30.11 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.07 -177.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.746 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 66.9 mmtt 64.11 69.57 0.53 Allowed 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 122.186 0.994 . . . . 0.0 110.718 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -84.89 -83.88 0.16 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.33 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -157.66 143.0 17.03 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.074 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.5 p -86.73 -21.04 26.84 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.362 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -74.81 -45.0 46.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.867 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -2.64 57.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.809 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.426 ' HA ' HD11 ' B' ' 75' ' ' LEU . 3.2 t-160 -55.96 -42.64 76.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.4 p -91.99 9.02 34.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.458 0.647 . . . . 0.0 112.176 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -113.96 9.56 17.44 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 123.393 1.568 . . . . 0.0 108.31 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' B' ' 72' ' ' HIS . 3.2 mt -89.78 119.96 30.62 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.537 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -80.95 158.58 25.18 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.468 ' O ' HD12 ' B' ' 81' ' ' LEU . 19.5 ttmm -49.84 -52.6 31.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.204 0.602 . . . . 0.0 112.249 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.04 -30.19 64.03 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.227 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.06 -44.48 22.07 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.931 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.4 -50.51 80.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.227 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG21 ' B' ' 85' ' ' VAL . 8.3 mp -52.86 -53.0 55.25 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.548 0.53 . . . . 0.0 110.719 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 12.7 tt0 -65.1 -34.49 78.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.31 -35.64 78.11 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.858 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.483 HG21 ' O ' ' B' ' 81' ' ' LEU . 43.9 t -66.79 -43.08 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 63.6 mttt -68.81 -31.82 71.08 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -71.32 -27.7 63.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.78 0.324 . . . . 0.0 110.132 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 3.7 tt -63.29 -42.41 99.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 18.2 mmm180 -65.22 -42.58 93.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.165 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.77 -49.17 77.47 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.762 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.14 -48.12 81.51 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.278 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.56 -16.41 47.67 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -107.46 0.07 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 111.227 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.78 10.03 38.71 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.435 -1.188 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.05 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 CA--C 1.496 -1.134 0 CA-C-O 120.637 0.256 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.38 -23.56 59.01 Favored 'General case' 0 C--O 1.197 -1.7 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.975 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -75.48 -41.28 55.89 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -63.31 -43.52 97.59 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.36 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.6 ttm180 -62.63 -48.39 79.6 Favored 'General case' 0 C--O 1.197 -1.699 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.143 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' HA ' HD11 ' A' ' 50' ' ' ILE . 39.1 ttm180 -57.58 -43.55 84.68 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.554 1.142 . . . . 0.0 111.505 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.42 -49.8 75.96 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -62.97 -36.22 82.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.684 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 46' ' ' ARG . 89.8 mt -57.37 -53.66 41.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 C-N-CA 123.158 0.583 . . . . 0.0 109.648 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -60.04 -48.36 82.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.723 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 10.5 mm-40 -60.43 -40.69 91.98 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 123.664 0.602 . . . . 0.0 112.143 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.0 t -77.05 -39.04 51.39 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 121.953 -0.467 . . . . 0.0 110.786 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.5 tt -65.4 -44.23 88.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -62.62 -44.57 95.95 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.53 -25.95 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.627 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.72 -56.31 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.969 0.507 . . . . 0.0 109.814 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.61 -37.17 72.83 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.206 0.316 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -60.68 -51.68 68.32 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.54 -40.37 73.47 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.64 -48.04 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.215 0.531 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.08 -19.95 62.41 Favored 'General case' 0 C--O 1.192 -1.956 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.537 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 8.3 t70 -82.51 -29.94 30.14 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.74 0.781 . . . . 0.0 109.267 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.27 -35.55 58.86 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.517 HD12 ' ND1' ' A' ' 87' ' ' HIS . 5.1 mp -108.57 -34.93 6.59 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.199 -1.001 . . . . 0.0 112.831 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.537 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 34.8 mtmt 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.691 0.758 . . . . 0.0 112.19 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.28 -62.3 1.7 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.283 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 10.1 m-20 -151.5 139.13 19.67 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.433 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 p -79.41 -31.87 42.81 Favored 'General case' 0 C--N 1.283 -2.294 0 O-C-N 124.001 0.813 . . . . 0.0 109.595 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -66.18 -37.69 86.23 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.059 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 15.2 ptp180 -69.5 -42.6 74.53 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 24.1 t-80 -55.69 -40.66 72.65 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.724 1.21 . . . . 0.0 111.401 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -79.83 1.44 26.93 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 44.11 0.57 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 123.071 1.415 . . . . 0.0 108.617 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 12.4 mt -81.01 118.86 22.84 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.523 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.38 155.03 20.76 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.644 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 20.1 ttmm -44.36 -54.93 5.37 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.61 61.87 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 124.35 1.06 . . . . 0.0 112.464 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.79 -34.82 39.35 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.994 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.538 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 62.7 mt -72.95 -50.61 31.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.238 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 47.7 mt -54.73 -48.85 72.05 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 123.989 0.806 . . . . 0.0 109.335 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.698 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 28.0 tt0 -57.38 -49.0 77.59 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.423 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 tpp -53.65 -40.26 65.72 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 124.81 1.244 . . . . 0.0 110.863 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -46.43 78.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 110.752 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 81' ' ' LEU . 24.9 t -58.07 -44.11 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.625 1.203 . . . . 0.0 108.613 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 12.5 mmtp -65.92 -37.24 85.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.932 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.517 ' ND1' HD12 ' A' ' 65' ' ' LEU . 75.6 t60 -73.14 -27.9 61.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.156 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.9 tm? -57.94 -50.99 71.5 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 175.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.9 mpt_? -58.99 -45.27 91.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 123.318 0.386 . . . . 0.0 110.725 177.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.41 -52.12 64.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 123.698 0.624 . . . . 0.0 111.512 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.1 mt -71.63 -17.71 62.25 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -86.42 -21.67 26.99 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.174 0.511 . . . . 0.0 112.056 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.5 ppt_? -110.7 9.62 22.8 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.237 0.541 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.462 0.649 . . . . 0.0 110.012 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 120.418 0.151 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -69.7 -42.08 74.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.498 0.666 . . . . 0.0 109.482 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.705 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.535 ' O ' HG13 ' B' ' 50' ' ' ILE . 45.2 ttp180 -58.92 -53.9 53.24 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HA ' HD11 ' B' ' 50' ' ' ILE . 61.7 ttp180 -49.18 -47.98 45.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.927 1.291 . . . . 0.0 111.518 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -61.07 -49.32 77.82 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.419 HH21 ' CD ' ' A' ' 82' ' ' GLU . 52.4 ttt180 -61.92 -30.86 71.18 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.568 0.543 . . . . 0.0 110.239 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.8 mt -61.87 -56.98 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -61.21 -45.29 95.2 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.977 0.418 . . . . 0.0 110.549 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 39.3 mt-10 -62.52 -42.0 99.22 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.146 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -76.78 -38.17 54.54 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.884 -0.726 . . . . 0.0 111.113 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -41.16 89.99 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 33.0 t -70.43 -42.67 71.25 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.68 -28.91 67.29 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.323 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' B' ' 84' ' ' THR . 3.1 tm? -63.48 -59.43 4.67 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.175 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.19 44.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -66.83 -59.81 3.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.317 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -40.4 95.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.473 ' O ' HD13 ' B' ' 65' ' ' LEU . 48.8 mm -63.67 -50.49 77.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.068 0.461 . . . . 0.0 110.869 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.433 ' HG ' ' HD1' ' B' ' 72' ' ' HIS . 0.4 OUTLIER -67.59 -33.08 74.28 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.567 -175.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.658 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 11.7 m-20 -77.84 -27.97 50.02 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.42 -37.26 25.75 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.104 -1.039 . . . . 0.0 110.818 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.473 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.5 mp -88.71 -28.19 20.71 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.024 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.658 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 58.01 66.03 1.19 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.548 1.155 . . . . 0.0 110.512 178.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -76.36 -71.56 0.38 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.976 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -172.75 145.53 1.5 Allowed 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -76.05 -28.89 57.83 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 123.711 0.632 . . . . 0.0 110.939 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -72.78 -38.43 67.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.589 ' NH1' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -80.15 -16.55 54.65 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.833 -178.81 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.433 ' HD1' ' HG ' ' B' ' 62' ' ' LEU . 12.4 t60 -67.78 -42.41 81.71 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -83.97 7.8 17.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.432 0.634 . . . . 0.0 111.014 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -127.57 23.88 6.25 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.981 1.372 . . . . 0.0 107.49 178.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.589 HD23 ' NH1' ' B' ' 71' ' ' ARG . 34.7 mt -82.04 98.1 8.46 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.849 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.16 162.96 23.42 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.54 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.7 ttmt -52.11 -47.63 65.2 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -26.65 68.57 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.729 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -43.67 55.06 Favored 'General case' 0 CA--C 1.484 -1.568 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.608 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 57.2 mt -66.23 -51.52 58.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.445 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 72.1 mt -53.48 -50.81 64.57 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 123.89 0.744 . . . . 0.0 110.617 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 25.0 tt0 -60.18 -42.33 94.78 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.127 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.82 -34.71 76.43 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -173.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.6 ' CG2' HD22 ' B' ' 57' ' ' LEU . 0.2 OUTLIER -66.74 -47.15 73.14 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 81' ' ' LEU . 48.0 t -59.56 -42.44 88.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 121.987 0.899 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.7 mtmt -65.66 -34.56 78.5 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.545 177.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.476 ' HD1' HD13 ' B' ' 91' ' ' LEU . 0.0 OUTLIER -65.43 -34.54 78.53 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.1 -47.81 84.36 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -57.62 -47.68 81.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.434 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.68 -56.32 22.7 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.665 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.476 HD13 ' HD1' ' B' ' 87' ' ' HIS . 64.9 mt -64.78 -34.98 79.63 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.883 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -62.52 -33.76 75.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.816 0.341 . . . . 0.0 111.795 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.76 -6.25 43.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.05 62.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.376 0.607 . . . . 0.0 110.44 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.037 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 CA--C 1.503 -0.856 0 CA-C-O 120.907 0.384 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.16 -16.75 56.16 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.883 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -37.4 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 172.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -67.17 -42.62 83.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.515 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 ttm180 -64.17 -40.45 96.15 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.799 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.5 ttp180 -55.71 -44.15 77.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.343 0.657 . . . . 0.0 110.122 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -56.61 -51.95 66.72 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.8 -39.3 77.23 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.516 0.51 . . . . 0.0 111.398 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.8 mt -58.73 -53.32 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 O-C-N 123.403 0.44 . . . . 0.0 110.013 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.55 -45.5 93.9 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 120.994 0.426 . . . . 0.0 110.586 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 40.8 mt-10 -60.94 -42.56 98.41 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.939 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -76.86 -35.0 57.79 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.498 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.73 -40.15 69.6 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -64.34 -49.47 71.54 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.407 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 10.5 pt20 -67.41 -30.56 70.35 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.55 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.89 -57.35 13.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -52.75 -44.47 66.48 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.648 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.9 m -65.4 -50.26 66.17 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.094 -174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 79.4 mt -73.05 -30.7 63.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -175.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.7 mm -66.59 -46.51 85.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.065 0.459 . . . . 0.0 110.173 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -20.77 64.34 Favored 'General case' 0 C--O 1.197 -1.702 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.45 -31.26 29.55 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.665 0.786 . . . . 0.0 111.037 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.99 -36.78 24.77 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.475 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 87' ' ' HIS . 5.8 mp -95.62 -37.06 11.0 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.236 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 55.06 67.02 1.08 Allowed 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 122.438 1.113 . . . . 0.0 111.982 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 66.9 mttm -78.57 -71.33 0.44 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.62 152.12 3.08 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -87.23 -20.17 27.31 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.566 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -71.39 -45.95 61.49 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.674 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -73.35 -17.94 61.24 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.661 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -72.87 -34.85 67.0 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 m -80.32 -8.81 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.551 0.691 . . . . 0.0 111.107 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -117.38 19.82 13.88 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 122.915 1.341 . . . . 0.0 108.026 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 17.0 mt -83.28 109.58 17.37 Favored 'General case' 0 N--CA 1.411 -2.383 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -80.09 156.86 26.86 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-N 114.229 -1.35 . . . . 0.0 108.097 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 28.5 ttpt -52.93 -42.14 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.03 73.53 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.309 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.02 -43.56 24.05 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.735 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.423 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.3 mt -59.04 -51.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 83.5 mt -58.64 -50.49 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.684 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.5 tt0 -61.08 -37.36 82.43 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.826 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.623 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 47.6 tpp -64.79 -38.08 89.78 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.428 0.632 . . . . 0.0 109.511 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 m -66.96 -39.16 87.18 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.659 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.6 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 46.7 t -71.81 -42.66 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 110.158 178.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.7 mtmt -65.94 -36.78 84.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.963 0.411 . . . . 0.0 110.977 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.567 ' CG ' HD13 ' A' ' 65' ' ' LEU . 80.8 t60 -70.93 -27.14 63.55 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.795 0.331 . . . . 0.0 110.152 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.8 tp -62.36 -40.09 95.28 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -65.02 -42.68 94.19 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.149 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 93' ' ' ARG . 62.7 m-20 -59.98 -46.14 90.41 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.529 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.45 -43.85 76.17 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.029 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -63.05 -17.32 62.12 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -104.5 -14.42 15.69 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 116.454 -2.098 . . . . 0.0 109.035 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.076 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.87 -178.044 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -74.69 -45.0 47.31 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 -58.56 -43.31 89.31 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.313 0.578 . . . . 0.0 110.041 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.516 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.7 ttm105 -62.41 -54.55 38.58 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.708 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' B' ' 50' ' ' ILE . 26.4 ttt85 -54.77 -47.19 74.23 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.072 0.949 . . . . 0.0 111.501 -177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -57.93 -50.94 71.64 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 123.207 0.603 . . . . 0.0 109.956 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -66.08 -30.99 71.6 Favored 'General case' 0 C--O 1.205 -1.253 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.383 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -59.02 -56.96 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.948 0.404 . . . . 0.0 110.09 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -61.28 -43.01 99.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.465 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.6 mm-40 -66.84 -37.8 85.17 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 28.6 p -75.74 -41.6 52.85 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.761 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.48 -38.63 87.99 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.6 0.563 . . . . 0.0 109.65 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 14.3 t -66.41 -51.39 57.47 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.87 -30.34 69.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.606 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.28 -54.88 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.491 1.116 . . . . 0.0 108.739 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' B' ' 55' ' ' SER . 5.0 ttpm? -48.17 -48.69 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.777 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 32.9 m -67.63 -55.2 14.25 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 114.563 -1.198 . . . . 0.0 111.479 -172.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.51 -35.97 81.57 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.566 ' O ' HD13 ' B' ' 65' ' ' LEU . 28.4 mm -66.81 -56.44 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 O-C-N 123.238 0.336 . . . . 0.0 110.492 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.14 -36.19 79.12 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.533 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.6 OUTLIER -73.71 -25.42 60.21 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.004 -177.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -29.47 45.15 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.754 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.566 HD13 ' O ' ' B' ' 61' ' ' ILE . 4.1 mp -91.57 -31.38 15.93 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 118.4 -1.32 . . . . 0.0 109.317 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.533 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 9.5 mmpt? 64.02 66.02 0.67 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 124.53 1.144 . . . . 0.0 109.418 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.727 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -79.68 -69.78 0.56 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.477 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -179.09 146.51 0.3 Allowed 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.6 m -75.4 -22.9 57.08 Favored 'General case' 0 N--CA 1.4 -2.937 0 O-C-N 123.905 0.753 . . . . 0.0 112.118 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -70.56 -46.22 63.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.61 -7.24 57.41 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.472 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -85.65 -27.57 25.31 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.4 m -92.63 -4.58 53.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.1 0.952 . . . . 0.0 109.902 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.3 24.97 11.2 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 25.1 mt -85.1 112.28 20.52 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.946 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -90.43 158.69 16.95 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.8 ttmt -51.63 -45.99 63.48 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.159 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.2 -43.97 27.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 70.4 mt -64.26 -50.59 75.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 85.3 mt -56.8 -51.6 68.3 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 121.068 0.461 . . . . 0.0 110.337 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.8 tt0 -64.73 -35.99 82.83 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.752 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.727 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 35.5 tpp -62.98 -41.0 99.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.516 0.674 . . . . 0.0 109.674 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -64.13 -41.2 97.3 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.145 -1.388 . . . . 0.0 110.463 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 40.2 t -71.43 -41.3 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.464 0.65 . . . . 0.0 110.115 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.9 mtmt -67.83 -40.48 83.76 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.732 -0.605 . . . . 0.0 110.591 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.429 ' HA ' ' ND2' ' B' ' 90' ' ' ASN . 86.4 t60 -67.54 -26.73 66.46 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.127 176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 19.4 tp -59.94 -47.65 84.93 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -37.18 86.3 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.669 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 73.5 m-20 -61.46 -47.04 87.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.595 0.559 . . . . 0.0 110.529 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.06 -30.88 67.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.095 0.474 . . . . 0.0 111.412 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -78.18 -15.04 59.2 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.1 OUTLIER -104.72 0.73 28.61 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 121.957 -0.464 . . . . 0.0 111.103 -176.271 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.18 53.79 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.741 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.18 -22.04 59.57 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.074 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -42.1 74.94 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.69 -46.89 80.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 50' ' ' ILE . 33.7 ttm180 -56.79 -52.14 66.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.692 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' HA ' HD12 ' A' ' 50' ' ' ILE . 10.5 ptm180 -58.53 -38.16 77.18 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.71 -49.67 76.84 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -63.27 -39.34 94.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -58.38 -57.24 11.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.261 0 C-N-CA 123.043 0.537 . . . . 0.0 110.432 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.92 -44.49 97.13 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 69.7 mm-40 -58.14 -38.7 77.05 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.105 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 m -76.75 -39.13 52.76 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.851 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.39 -38.86 91.24 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 t -60.05 -56.01 26.87 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.08 -29.53 69.87 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.84 -58.57 7.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.746 0.818 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -62.48 -30.12 71.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 m -69.48 -55.47 10.14 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.657 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.07 -29.86 69.75 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 ' O ' HD12 ' A' ' 65' ' ' LEU . 23.9 mm -63.43 -50.65 77.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.17 0.509 . . . . 0.0 109.861 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -72.75 -24.0 60.9 Favored 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.346 -0.541 . . . . 0.0 109.673 -177.454 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -82.99 -34.35 26.38 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.18 -35.4 23.58 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.059 0.933 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 61' ' ' ILE . 13.1 mt -97.98 -29.03 13.52 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.509 -172.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 33.9 mtmt 48.22 71.4 0.35 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.683 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 67.4 mttm -77.11 -80.43 0.1 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.595 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.0 t70 -161.57 151.09 16.47 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.2 t -83.97 -28.57 27.68 Favored 'General case' 0 C--N 1.269 -2.932 0 O-C-N 124.023 0.827 . . . . 0.0 109.481 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 m -66.74 -49.93 64.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.832 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.458 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -79.78 -13.16 59.63 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.744 -176.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.68 -38.85 75.86 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.708 0.766 . . . . 0.0 109.236 175.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -84.47 15.12 3.89 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.636 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -132.09 14.23 4.71 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.434 1.112 . . . . 0.0 109.469 176.25 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -85.31 126.68 33.92 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 80' ' ' ILE . 32.1 mt-10 -79.84 156.47 27.36 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 29.0 ttpt -50.28 -39.45 45.33 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.04 0.837 . . . . 0.0 112.607 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.73 76.31 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.933 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.8 -32.89 40.79 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.49 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 76' ' ' GLU . 2.3 mp -61.69 -51.21 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.4 mt -60.32 -49.67 76.69 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.005 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.704 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 25.3 tt0 -58.79 -38.98 79.75 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.278 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.683 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 50.6 tpp -64.41 -42.08 96.28 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 m -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.805 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.649 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 63.3 t -65.88 -54.39 27.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.905 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -56.24 -40.37 74.02 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.65 0.738 . . . . 0.0 110.997 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . 0.258 43.3 m-70 -75.09 -26.28 59.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.3 pp -72.29 -28.56 63.18 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 15.8 mmm-85 -66.11 -44.65 83.68 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.09 -55.27 35.04 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.339 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.05 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -39.73 95.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.946 0.403 . . . . 0.0 111.248 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.86 20.6 16.29 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.258 0 CA-C-O 121.352 0.596 . . . . 0.0 110.156 179.289 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -72.72 -43.49 62.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -63.45 -37.43 87.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.772 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.592 ' O ' HG13 ' B' ' 50' ' ' ILE . 41.4 ttt180 -59.88 -53.16 61.15 Favored 'General case' 0 C--O 1.202 -1.419 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.446 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.531 ' HA ' HD11 ' B' ' 50' ' ' ILE . 94.7 mtt180 -58.48 -42.63 87.98 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 123.372 0.42 . . . . 0.0 111.521 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.59 -49.16 75.73 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 123.624 0.578 . . . . 0.0 109.548 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.22 -27.54 64.55 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.417 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 46' ' ' ARG . 98.6 mt -59.7 -52.87 55.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 174.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.36 -43.03 92.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.63 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.6 mm-40 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -75.1 -41.43 58.66 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.53 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.14 -36.56 84.01 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -59.67 -57.95 10.7 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.754 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.9 -29.88 69.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.94 -58.9 6.37 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.012 0.925 . . . . 0.0 110.358 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -62.34 -33.06 73.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.891 0.376 . . . . 0.0 110.954 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 m -63.71 -56.32 16.59 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.982 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -27.47 60.71 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 10.4 mm -60.78 -55.5 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -75.22 -21.03 58.93 Favored 'General case' 0 C--O 1.191 -1.989 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.369 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.89 -30.84 67.32 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.587 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.22 25.38 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.357 0.599 . . . . 0.0 109.881 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 16.8 mt -93.27 -38.13 11.68 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.515 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 51.93 65.68 1.42 Allowed 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 124.587 1.155 . . . . 0.0 111.393 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.505 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 66.1 mttm -79.33 -70.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.595 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.579 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.8 t70 -162.05 134.2 5.64 Favored 'General case' 0 CA--C 1.476 -1.872 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -87.35 -15.64 37.32 Favored 'General case' 0 N--CA 1.406 -2.649 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' SER . . . . . 0.579 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 47.2 t -69.41 -51.27 38.1 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.443 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -73.46 -9.82 59.08 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.498 ' HA ' HD22 ' B' ' 75' ' ' LEU . 3.6 t-80 -63.02 -22.3 66.76 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -92.44 3.17 56.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.28 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 36.99 3.24 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 122.841 1.305 . . . . 0.0 108.469 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' B' ' 72' ' ' HIS . 0.7 OUTLIER -83.11 124.05 30.1 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.245 175.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -86.45 144.49 27.26 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 25.8 ttpt -55.36 -38.37 68.73 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.389 0.614 . . . . 0.0 111.551 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.76 76.21 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.132 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -78.95 -39.34 34.78 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.679 -175.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 75' ' ' LEU . 76.5 mt -61.75 -54.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.931 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 82.9 mt -58.3 -47.43 83.72 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 109.664 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.2 tt0 -62.19 -38.05 87.65 Favored 'General case' 0 C--O 1.203 -1.373 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.111 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.505 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 36.3 tpp -68.54 -32.02 71.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.613 0.72 . . . . 0.0 109.685 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 13.6 m -70.46 -42.11 71.89 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.801 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 59.7 t -69.75 -40.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 75.4 mttt -65.57 -33.05 75.0 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.229 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.471 ' CD2' HD22 ' B' ' 65' ' ' LEU . 14.3 t-80 -69.74 -30.25 67.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.807 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.506 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -64.98 -42.38 94.58 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.6 mmm180 -61.56 -48.83 79.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.51 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -55.29 -50.72 68.82 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' B' ' 87' ' ' HIS . 87.0 mt -63.12 -44.6 95.18 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.11 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.32 -21.35 66.21 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 6.5 ppt_? -111.66 5.62 19.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 122.02 0.914 . . . . 0.0 111.227 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.77 16.43 17.52 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.998 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.426 -1.675 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -177.769 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 CA--C 1.506 -0.743 0 CA-C-O 121.156 0.503 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.24 -15.03 56.79 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.521 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.45 -41.88 75.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.19 -45.55 87.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.446 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 ttp180 -58.53 -49.16 78.42 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.401 175.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 50' ' ' ILE . 77.8 ttt180 -56.79 -37.49 71.21 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.154 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.65 -43.63 98.49 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.3 -31.42 72.57 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.779 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 47' ' ' ARG . 81.5 mt -61.47 -53.12 52.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -61.35 -43.45 98.85 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 63.2 mt-10 -55.56 -49.02 73.82 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.076 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -73.85 -44.22 56.2 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.522 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.14 -41.51 97.16 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -62.25 -49.86 74.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.197 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -73.6 -25.05 60.15 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.814 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.84 -59.22 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 123.657 0.783 . . . . 0.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -62.0 -36.67 82.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -54.73 36.46 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.181 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.63 -31.65 68.67 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' CD2' ' A' ' 87' ' ' HIS . 12.4 mm -62.88 -43.07 98.67 Favored 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-O 122.386 1.088 . . . . 0.0 110.309 174.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -71.53 -38.17 71.09 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.257 -179.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.552 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 5.2 t70 -78.3 -25.28 46.53 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.036 0.446 . . . . 0.0 112.182 -176.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.58 67.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 87' ' ' HIS . 7.3 mp -102.32 -28.73 12.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 117.854 -1.538 . . . . 0.0 113.245 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 25.0 mtmt 54.97 65.8 1.4 Allowed 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 122.759 1.266 . . . . 0.0 110.57 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' HD2' ' HB2' ' A' ' 65' ' ' LEU . 2.9 mppt? -79.97 -72.62 0.39 Allowed 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 112.794 -2.003 . . . . 0.0 109.915 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.552 ' HB2' ' CG ' ' A' ' 71' ' ' ARG . 7.6 m-20 -153.74 150.92 29.02 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.418 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -86.9 -29.45 22.13 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 t -61.64 -53.03 61.64 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.089 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.63 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -67.76 -32.44 73.03 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.347 177.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.499 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 11.8 t-160 -58.36 -46.5 86.17 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.551 0.532 . . . . 0.0 111.076 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 p -85.6 4.21 37.23 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.445 0.64 . . . . 0.0 112.35 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -126.72 18.03 7.39 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.476 1.131 . . . . 0.0 108.192 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 15.9 mt -71.51 115.04 10.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.421 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -77.94 149.68 34.14 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.9 ttmt -49.98 -47.5 52.77 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.73 -31.43 72.42 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.286 0.565 . . . . 0.0 111.251 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.02 -35.36 66.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.068 0.937 . . . . 0.0 108.879 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.541 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.7 mt -66.96 -49.55 72.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.525 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.527 ' O ' HG21 ' A' ' 85' ' ' VAL . 52.9 mt -59.96 -50.71 72.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.91 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.5 tt0 -59.75 -36.86 77.49 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.314 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.24 -39.69 93.04 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 m -66.95 -41.43 86.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.4 t -67.66 -49.65 68.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 109.93 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.5 mttm -61.7 -38.67 88.73 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.171 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.456 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 m-70 -66.21 -32.8 74.46 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.8 pp -66.97 -40.09 87.37 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.494 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -66.76 -34.39 77.73 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.67 178.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 87' ' ' HIS . 78.3 m-20 -55.33 -50.85 68.56 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.75 -45.21 93.76 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 3.6 mm-40 -61.3 -21.16 63.7 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -115.22 -8.25 12.36 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.829 -0.748 . . . . 0.0 112.15 -176.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.31 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 14.2 pt-20 . . . . . 0 C--O 1.2 -1.539 0 CA-C-O 119.57 -0.252 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -65.48 -46.96 77.73 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -58.99 -48.57 81.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.321 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.501 ' O ' HG13 ' B' ' 50' ' ' ILE . 34.6 ttm180 -62.72 -49.54 74.65 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.02 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 91.9 mtt180 -54.56 -48.01 72.57 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.714 0.406 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.25 82.42 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 123.483 0.489 . . . . 0.0 109.996 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -56.96 -42.35 80.0 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.4 mt -60.38 -58.72 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.085 0.554 . . . . 0.0 111.072 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -60.43 -42.87 96.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.127 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -71.7 -28.14 63.5 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -77.0 -31.9 56.79 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.483 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 5.0 tt -74.33 -37.25 63.61 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 123.417 0.687 . . . . 0.0 109.424 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -69.8 -44.39 70.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.71 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -66.53 -31.48 72.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.432 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.445 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.8 tt -59.48 -58.6 7.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.75 1.22 . . . . 0.0 110.734 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.571 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -61.57 -30.63 70.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.571 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 92.8 m -66.14 -52.03 52.34 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.648 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.67 -33.71 71.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.371 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.669 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.8 mm -63.44 -53.33 46.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 O-C-N 123.474 0.484 . . . . 0.0 110.793 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' B' ' 72' ' ' HIS . 2.1 tm? -62.08 -38.06 87.39 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.82 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.596 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 58.2 m-20 -73.6 -25.76 60.49 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.74 -22.65 31.88 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.636 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 17.0 mt -95.27 -38.08 10.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.326 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.596 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 11.1 mmpt? 61.2 61.98 1.47 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.855 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.53 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -86.07 -79.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.126 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.427 ' HB2' ' HE ' ' B' ' 71' ' ' ARG . 24.8 m-20 -157.85 149.64 21.87 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' B' ' 72' ' ' HIS . 16.5 p -87.15 -23.48 24.82 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.283 0.563 . . . . 0.0 111.272 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 54.7 m -69.11 -43.79 73.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 12.8 ptp180 -63.32 -38.07 89.72 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' B' ' 69' ' ' SER . 28.4 t-80 -52.32 -38.63 59.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.096 0.959 . . . . 0.0 111.11 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.5 t -85.45 1.41 48.89 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.727 0.775 . . . . 0.0 110.877 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -34.95 7.04 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 47.3 mt -33.27 109.04 0.06 Allowed 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 126.061 2.1 . . . . 0.0 114.22 -173.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.596 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 41.1 mt-10 -92.47 170.57 9.66 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.888 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.442 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.1 ttmt -56.78 -45.95 81.81 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.06 72.43 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.384 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.596 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 3.0 m-20 -74.48 -52.16 12.76 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 122.078 0.942 . . . . 0.0 108.652 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.427 HG22 ' HB3' ' B' ' 58' ' ' LYS . 83.2 mt -55.72 -52.13 51.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 113.34 -1.754 . . . . 0.0 111.671 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.0 mp -54.21 -52.73 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 123.497 0.498 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 24.1 tt0 -64.35 -36.92 85.71 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.544 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.53 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 23.9 tpp -63.87 -35.63 81.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.149 0.976 . . . . 0.0 109.321 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -74.03 -42.82 59.73 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.583 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 81' ' ' LEU . 76.3 t -64.24 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.264 0.554 . . . . 0.0 109.6 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 72.4 mttt -63.25 -37.47 87.36 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -70.61 -26.92 63.72 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.478 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.79 -38.0 79.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.9 mmt180 -61.01 -48.96 79.39 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.671 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.03 -55.4 31.38 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.473 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.66 -33.87 76.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.875 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' B' ' 95' ' ' GLN . 0.0 OUTLIER -113.37 -1.05 14.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.3 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.47 28.0 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.454 0.702 . . . . 0.0 110.682 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' B' ' 93' ' ' ARG . 23.4 mm-40 . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.16 -21.43 50.23 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.241 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -74.12 -38.85 63.68 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.449 -0.501 . . . . 0.0 109.88 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -64.86 -44.76 88.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.789 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.4 ttm180 -59.51 -55.52 33.51 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.275 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HA ' HD11 ' A' ' 50' ' ' ILE . 29.9 mtm180 -54.42 -43.33 71.44 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.592 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.69 -54.68 43.38 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.496 0.497 . . . . 0.0 109.975 176.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' CB ' ' HB3' ' B' ' 78' ' ' ALA . 60.0 mtp180 -61.22 -34.16 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.09 -55.51 23.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -61.17 -46.4 90.64 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.713 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 17.8 mm-40 -58.53 -48.0 82.3 Favored 'General case' 0 C--O 1.249 1.067 0 O-C-N 123.565 0.541 . . . . 0.0 111.948 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 m -76.89 -36.94 56.36 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.9 tt -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.57 0.7 . . . . 0.0 109.445 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.8 m -66.51 -45.74 78.55 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.451 -178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.37 -30.44 68.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.7 -56.94 15.04 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.22 1.008 . . . . 0.0 110.522 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.06 -36.02 80.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.187 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.7 m -66.94 -47.85 70.4 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.447 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -34.99 75.14 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.436 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mm -63.49 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--O 1.29 3.212 0 CA-C-O 122.089 0.947 . . . . 0.0 110.795 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -60.94 -51.29 69.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.269 -179.141 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.765 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 20.6 t70 -69.83 -42.82 73.11 Favored 'General case' 0 C--O 1.169 -3.137 0 O-C-N 124.183 0.927 . . . . 0.0 111.4 -177.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.541 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -54.16 -31.54 52.87 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 120.817 0.342 . . . . 0.0 111.746 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 65' ' ' LEU . 6.6 mp -115.58 -8.53 12.11 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.12 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.765 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 36.7 mmtt 58.69 56.49 4.17 Favored 'General case' 0 CA--C 1.491 -1.324 0 C-N-CA 124.416 1.086 . . . . 0.0 110.309 175.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' A' ' 62' ' ' LEU . 47.6 mttp -62.93 -82.88 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 113.486 -1.688 . . . . 0.0 112.029 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -179.08 142.97 0.2 Allowed 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 p -78.7 -18.39 54.4 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.354 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -43.21 66.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.582 ' NH1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -80.63 -3.21 49.64 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -84.66 -22.27 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 170.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.2 t -90.74 -25.99 19.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.356 1.074 . . . . 0.0 109.423 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 35.4 2.76 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.634 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.712 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 7.0 tp -101.41 102.66 13.5 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.953 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -79.27 153.09 30.17 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.85 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.557 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 2.7 ttmp? -51.78 -47.81 64.02 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.44 71.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' ' 83' ' ' MET . 16.3 t70 -76.05 -35.79 59.3 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.712 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.1 mt -67.25 -52.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.923 -1.489 . . . . 0.0 110.979 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.588 ' O ' HG22 ' A' ' 85' ' ' VAL . 72.8 mt -60.03 -52.63 64.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 9.0 tt0 -55.98 -39.9 72.51 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.711 0.632 . . . . 0.0 112.012 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 36.4 tpp -62.25 -52.59 63.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -173.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -61.06 -46.49 90.44 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 81' ' ' LEU . 57.7 t -63.81 -45.51 96.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-O 121.909 0.861 . . . . 0.0 110.595 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 79.7 mttt -72.29 -23.96 61.27 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-O 121.711 0.767 . . . . 0.0 111.426 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.16 -26.04 55.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.024 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.1 tt -61.78 -43.54 98.65 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 4.6 mmt180 -60.37 -45.7 92.58 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.837 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 85.7 m-20 -59.67 -41.73 91.32 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.562 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -38.41 61.31 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.208 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.24 -19.67 64.75 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.58 -11.98 44.0 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.251 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.184 -176.356 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.19 -2.055 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -67.67 -42.01 82.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 123.781 0.675 . . . . 0.0 112.099 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -59.18 -49.28 78.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.696 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.547 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.4 ttm180 -68.39 -45.68 72.04 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.342 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.5 ttt180 -56.57 -44.71 81.26 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.106 1.363 . . . . 0.0 110.617 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.597 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -55.8 -52.93 62.27 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.758 0.661 . . . . 0.0 109.314 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -63.15 -32.97 74.48 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.889 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.8 mt -59.9 -55.78 21.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -60.8 -45.17 95.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.744 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 17.6 mm-40 -59.27 -43.08 92.51 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.946 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 29.7 m -77.33 -33.51 55.47 Favored 'General case' 0 N--CA 1.418 -2.053 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.468 -178.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.0 tt -72.48 -35.4 68.18 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -176.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.3 p -69.64 -46.45 66.14 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.039 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -68.94 -31.15 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.116 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -53.06 -59.45 4.52 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.283 1.433 . . . . 0.0 107.607 175.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' B' ' 58' ' ' LYS . 4.1 tmmm? -59.17 -45.72 90.27 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.132 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 51.5 m -59.31 -51.4 70.12 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 123.447 0.467 . . . . 0.0 112.032 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.59 -38.29 83.81 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.273 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.406 ' O ' HD12 ' B' ' 65' ' ' LEU . 29.5 mm -65.44 -36.4 77.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 122.052 0.93 . . . . 0.0 111.236 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -42.71 72.59 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.303 -0.873 . . . . 0.0 109.234 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.619 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 8.6 t70 -77.6 -30.5 52.46 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.43 -30.69 53.55 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.668 -0.645 . . . . 0.0 111.312 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.406 HD12 ' O ' ' B' ' 61' ' ' ILE . 6.0 mp -100.02 -32.31 11.01 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.927 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.619 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.0 mtmt 50.1 69.72 0.58 Allowed 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 123.083 1.421 . . . . 0.0 111.992 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -81.63 -75.41 0.29 Allowed 'General case' 0 N--CA 1.414 -2.233 0 CA-C-N 112.049 -2.341 . . . . 0.0 111.86 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 179.84 155.16 0.57 Allowed 'General case' 0 CA--C 1.473 -1.994 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -84.42 -20.3 32.04 Favored 'General case' 0 N--CA 1.408 -2.56 0 O-C-N 123.859 0.724 . . . . 0.0 111.721 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 16.4 m -67.75 -49.78 60.7 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -3.79 43.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -84.13 -31.43 25.22 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -86.8 -4.7 59.21 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 122.472 1.129 . . . . 0.0 109.886 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.06 21.72 11.72 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 123.258 1.504 . . . . 0.0 107.143 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.568 ' HG ' ' CG1' ' B' ' 80' ' ' ILE . 10.9 tp -99.41 98.22 9.17 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.147 -1.388 . . . . 0.0 107.474 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -86.56 163.66 17.34 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.746 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.481 ' O ' HD12 ' B' ' 81' ' ' LEU . 27.2 ttpt -51.13 -42.17 60.55 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 111.62 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.42 ' HB3' ' CB ' ' A' ' 49' ' ' ARG . . . -58.92 -37.8 77.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.485 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.416 ' HB3' HD11 ' B' ' 75' ' ' LEU . 4.9 m-20 -76.06 -50.87 13.55 Favored 'General case' 0 CA--C 1.487 -1.445 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.869 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.568 ' CG1' ' HG ' ' B' ' 75' ' ' LEU . 70.8 mt -51.72 -48.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.721 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG22 ' B' ' 85' ' ' VAL . 5.1 mp -55.65 -53.44 56.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.719 0.408 . . . . 0.0 111.423 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 8.4 tt0 -60.54 -39.07 86.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.403 ' HA ' ' HE1' ' B' ' 83' ' ' MET . 0.1 OUTLIER -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.419 0.628 . . . . 0.0 110.155 -173.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.486 HG22 ' CD2' ' B' ' 57' ' ' LEU . 14.5 m -77.52 -40.07 44.0 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.159 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 56.3 t -67.57 -38.03 79.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.84 0.829 . . . . 0.0 109.018 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.8 mttt -68.27 -35.7 78.28 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.077 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.42 ' NE2' HD12 ' B' ' 91' ' ' LEU . 77.3 t60 -67.91 -26.72 66.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 29.1 tp -66.13 -42.45 89.09 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 6.7 mmt180 -59.8 -46.55 88.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.29 -50.98 71.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.374 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.42 HD12 ' NE2' ' B' ' 87' ' ' HIS . 85.8 mt -72.21 -27.4 62.52 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -70.24 -29.17 65.91 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 4.2 ppt_? -117.96 13.37 13.95 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.73 -40.2 79.05 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.303 1.049 . . . . 0.0 110.142 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' B' ' 95' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.28 -2.451 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.33 175.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 CA--C 1.497 -1.07 0 CA-C-O 120.563 0.221 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.72 -25.99 60.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.436 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -73.55 -40.9 63.61 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -60.21 -42.12 94.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.286 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.499 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.93 -46.26 68.71 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.38 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' HD11 ' A' ' 50' ' ' ILE . 42.4 ttm180 -62.58 -39.74 94.68 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 123.807 0.843 . . . . 0.0 112.124 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.63 -48.73 80.51 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -61.36 -39.31 90.16 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 124.069 0.855 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.2 mt -59.12 -53.93 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 122.742 0.417 . . . . 0.0 111.157 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -65.77 -45.81 81.11 Favored 'General case' 0 CA--C 1.477 -1.837 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 9.2 pt-20 -66.52 -37.8 85.8 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 123.75 0.657 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -70.17 -48.67 56.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -60.26 -37.67 81.15 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 109.722 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.3 m -69.3 -42.39 75.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.214 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.43 -29.48 61.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.714 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.9 tm? -52.5 -59.08 4.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.617 1.967 . . . . 0.0 109.183 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -64.4 -36.4 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.967 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.0 m -61.16 -53.03 62.06 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.037 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -34.47 78.39 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 37.8 mm -64.83 -51.49 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.993 0.425 . . . . 0.0 110.631 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -23.55 62.35 Favored 'General case' 0 C--O 1.199 -1.57 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.22 -29.93 31.09 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.88 0.371 . . . . 0.0 111.595 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.14 27.96 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.652 HD22 ' CD2' ' A' ' 87' ' ' HIS . 20.2 mt -99.68 -34.39 10.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.069 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt 53.41 45.16 28.92 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.962 0.905 . . . . 0.0 111.927 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.58 -70.19 0.24 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.584 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 35.2 t70 -167.49 137.19 2.77 Favored 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.6 p -86.91 -19.76 28.37 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-O 121.34 0.59 . . . . 0.0 111.741 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.584 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 49.6 m -69.94 -44.57 69.29 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.471 HH11 ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -75.87 -12.98 60.26 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.891 -0.506 . . . . 0.0 110.512 176.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 11.2 t-160 -77.3 -18.14 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.817 0.818 . . . . 0.0 108.829 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -92.54 2.3 56.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.636 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -135.03 21.61 3.49 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.919 1.343 . . . . 0.0 107.796 177.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -90.21 106.05 18.23 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.443 177.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.31 160.16 28.02 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.633 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.601 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.6 ttmp? -48.82 -46.88 42.56 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.557 0.743 . . . . 0.0 111.965 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -35.83 76.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.559 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -79.68 -36.63 37.37 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.891 -171.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.97 -47.07 89.61 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.802 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 69.6 mt -57.94 -48.85 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 30.7 tt0 -59.83 -41.07 90.52 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.781 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 tpp -63.79 -35.08 79.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.728 0.775 . . . . 0.0 109.02 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.475 HG23 ' CD2' ' A' ' 57' ' ' LEU . 8.4 m -72.45 -43.81 63.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.325 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 81' ' ' LEU . 50.6 t -62.24 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.474 0.654 . . . . 0.0 109.844 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.2 mtmt -63.21 -44.06 96.37 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.652 ' CD2' HD22 ' A' ' 65' ' ' LEU . 11.8 t-160 -66.47 -28.91 68.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.06 178.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.32 -45.69 92.09 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -69.51 -29.8 67.5 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.745 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 93.5 m-20 -62.57 -44.09 97.2 Favored 'General case' 0 CA--C 1.49 -1.344 0 CA-C-O 121.054 0.454 . . . . 0.0 110.29 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.41 -43.89 76.21 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.412 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.67 -24.78 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 5.4 ppt_? -89.04 -8.53 53.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.986 0.422 . . . . 0.0 111.501 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.978 0 CA-C-O 121.822 0.82 . . . . 0.0 110.851 -177.288 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -75.98 -37.16 58.84 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.73 -42.24 95.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.314 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.587 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.7 ttm180 -60.59 -53.01 62.68 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' B' ' 50' ' ' ILE . 39.3 ttm180 -52.69 -47.71 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.804 1.242 . . . . 0.0 111.562 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.29 -50.62 72.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.016 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -61.98 -31.83 72.23 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.32 0.387 . . . . 0.0 111.781 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.587 HG13 ' O ' ' B' ' 46' ' ' ARG . 88.5 mt -60.46 -52.63 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -61.17 -48.14 82.95 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 25.7 mm-40 -60.52 -41.23 93.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.2 m -77.32 -35.97 54.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.973 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 50' ' ' ILE . 1.0 OUTLIER -72.05 -35.46 69.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.488 0.661 . . . . 0.0 109.381 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.0 p -69.87 -49.68 49.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.299 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.82 -32.98 74.92 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.731 0.301 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.48 HD23 ' OG1' ' B' ' 84' ' ' THR . 7.8 tt -58.08 -58.5 8.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.73 -43.8 65.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.639 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.2 m -59.31 -55.41 35.17 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.585 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.03 -32.44 67.13 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.7 mm -68.62 -50.41 56.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.39 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.93 -25.11 66.99 Favored 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.87 -32.45 61.89 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 -38.55 21.0 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 121.075 0.464 . . . . 0.0 109.978 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 13.9 mt -88.2 -38.25 15.44 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 120.211 -0.595 . . . . 0.0 109.923 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 49.78 68.31 0.76 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.713 1.258 . . . . 0.0 111.178 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.594 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 93.2 mttt -66.32 -57.11 8.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.777 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.44 151.91 0.22 Allowed 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -82.74 -28.17 30.62 Favored 'General case' 0 N--CA 1.399 -2.994 0 O-C-N 123.617 0.573 . . . . 0.0 110.248 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.2 m -70.96 -36.06 72.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.382 0.61 . . . . 0.0 110.222 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -6.56 58.58 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -70.47 -22.71 62.64 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 21.5 m -88.29 14.98 8.31 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.489 0.661 . . . . 0.0 110.879 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.606 ' HE2' ' O ' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -143.64 84.47 1.8 Allowed 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.82 121.98 37.55 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 121.608 0.718 . . . . 0.0 110.684 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 80' ' ' ILE . 33.8 mt-10 -90.81 149.44 21.98 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.579 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 ttmt -52.62 -45.0 66.41 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.172 0.51 . . . . 0.0 110.671 177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -30.28 69.99 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.303 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' MET . 11.2 t70 -76.97 -41.28 43.66 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 76' ' ' GLU . 53.6 mt -64.94 -51.86 61.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.046 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 86.6 mt -56.0 -49.28 74.08 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 124.043 0.839 . . . . 0.0 109.571 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.5 tt0 -61.67 -39.26 90.76 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.377 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.594 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 72.8 mtm -56.89 -45.96 82.23 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.48 ' OG1' HD23 ' B' ' 57' ' ' LEU . 0.1 OUTLIER -59.11 -48.72 80.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.406 178.401 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.51 HG22 ' O ' ' B' ' 81' ' ' LEU . 40.2 t -64.41 -44.51 97.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.894 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -67.28 -39.38 86.04 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 122.057 -0.402 . . . . 0.0 111.273 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 6.0 tt -60.96 -46.41 90.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -58.05 -46.49 85.28 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -55.68 -51.68 66.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.198 0.936 . . . . 0.0 111.075 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.553 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -72.86 -14.45 61.5 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.788 0.328 . . . . 0.0 111.716 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 11.17 14.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 0.0 109.994 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.28 27.95 3.07 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.259 1.597 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -176.104 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.61 -18.94 59.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.261 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -70.69 -43.25 69.44 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -62.96 -41.16 99.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.366 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.5 ttp180 -60.77 -54.2 48.04 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.224 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.8 ttp180 -58.8 -39.03 79.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.792 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -60.81 -46.75 89.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -60.36 -37.12 79.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.779 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' ARG . 79.3 mt -55.26 -56.87 9.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -59.18 -45.91 89.8 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.633 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 23.7 mm-40 -59.0 -37.99 78.15 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.8 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m -76.45 -44.13 36.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.459 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.41 -36.95 85.5 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.209 0.528 . . . . 0.0 109.738 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -61.22 -50.96 70.96 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.378 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -72.97 -29.17 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.54 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -58.49 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.117 0.967 . . . . 0.0 110.145 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -60.82 -35.5 76.66 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.156 0.285 . . . . 0.0 111.168 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.47 -52.97 59.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.404 0.44 . . . . 0.0 111.07 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.55 -32.19 69.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.52 -52.05 45.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.276 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -33.19 72.76 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.599 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 1.3 t70 -80.78 -28.34 36.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.343 -176.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.18 -34.33 37.6 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 118.857 -1.137 . . . . 0.0 111.174 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 65' ' ' LEU . 4.7 mp -92.57 -24.27 18.78 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.425 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 9.7 mmpt? 59.18 64.06 1.46 Allowed 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 109.803 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 70.0 mmtt -71.47 -78.99 0.07 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 112.825 -1.988 . . . . 0.0 111.273 -177.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.95 153.23 0.62 Allowed 'General case' 0 CA--C 1.466 -2.286 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -77.01 -28.83 55.15 Favored 'General case' 0 N--CA 1.403 -2.822 0 O-C-N 123.771 0.669 . . . . 0.0 111.236 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 t -70.12 -40.75 74.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.62 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -82.05 -3.16 53.99 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -178.389 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -78.4 -40.76 35.09 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 170.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -83.31 -1.14 52.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.86 1.314 . . . . 0.0 110.46 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HA ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -122.64 58.95 1.06 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 122.86 1.314 . . . . 0.0 107.587 175.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 13.8 mt -121.66 108.03 13.06 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 112.718 -2.037 . . . . 0.0 110.182 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.8 152.19 31.51 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.0 ttmt -49.0 -44.5 41.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.36 0.6 . . . . 0.0 112.222 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.87 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.198 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 -34.8 42.14 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 121.91 0.862 . . . . 0.0 108.699 -174.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 53.3 mt -72.68 -50.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.251 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.534 ' O ' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -57.55 -52.93 63.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.052 0.453 . . . . 0.0 110.049 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 22.4 tt0 -60.5 -35.49 76.06 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.289 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.484 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 2.1 tpt -69.18 -33.6 73.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.672 0.748 . . . . 0.0 109.818 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.1 m -72.22 -42.3 65.91 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.728 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.736 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.2 t -68.65 -43.58 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.729 0.776 . . . . 0.0 109.923 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.2 mttt -67.13 -30.33 70.3 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 121.972 -0.455 . . . . 0.0 111.348 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -72.14 -29.52 64.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.264 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.6 pp -66.84 -35.42 80.01 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.306 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -58.75 -47.59 84.14 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.12 -52.17 65.31 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 123.981 0.8 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.5 mt -70.92 -21.32 62.38 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -75.53 -40.34 57.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 118.013 0.37 . . . . 0.0 110.777 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.91 6.73 40.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.061 0.458 . . . . 0.0 112.009 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 111.149 -177.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 4.8 pt-20 . . . . . 0 N--CA 1.439 -0.988 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.57 -38.77 87.79 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -66.03 -40.93 91.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.345 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.61 ' O ' HG13 ' B' ' 50' ' ' ILE . 28.7 ttm180 -57.71 -52.87 63.69 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 58.8 mtt180 -53.85 -46.05 71.13 Favored 'General case' 0 CA--C 1.502 -0.87 0 C-N-CA 123.065 0.546 . . . . 0.0 111.68 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.14 -51.43 68.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -62.99 -35.32 79.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.664 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 46' ' ' ARG . 85.2 mt -61.3 -53.42 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.159 0.584 . . . . 0.0 109.869 176.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -61.09 -45.68 93.7 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.171 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 45.7 mt-10 -60.3 -42.96 96.62 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.152 0.907 . . . . 0.0 112.178 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.8 p -75.08 -43.03 55.47 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.303 -175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.59 -38.71 91.2 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -59.76 -57.03 14.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.467 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.73 -25.69 63.05 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.326 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 123.53 0.732 . . . . 0.0 109.914 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.75 -34.69 78.45 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.07 0.462 . . . . 0.0 110.672 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.5 m -67.22 -45.75 75.89 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.372 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.48 -36.4 68.42 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.166 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.04 -49.2 84.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 120.833 0.349 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.432 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.89 -26.34 66.83 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.62 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.439 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.9 t70 -80.92 -28.45 35.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.418 0.627 . . . . 0.0 110.976 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -38.39 23.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 122.026 -0.421 . . . . 0.0 110.423 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.498 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.7 mp -90.89 -37.8 13.32 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.011 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.6 mtmt 53.55 67.37 1.01 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 122.539 1.161 . . . . 0.0 112.048 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.0 -70.84 0.53 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.782 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -171.31 143.86 1.92 Allowed 'General case' 0 CA--C 1.476 -1.88 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.7 m -83.37 -19.64 35.71 Favored 'General case' 0 N--CA 1.408 -2.561 0 O-C-N 123.458 0.473 . . . . 0.0 109.939 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -66.73 -33.61 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.781 0.801 . . . . 0.0 109.432 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -92.12 -6.35 50.99 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.04 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.432 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.6 t-160 -82.85 -42.88 17.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.032 0.933 . . . . 0.0 108.53 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -74.21 3.91 6.47 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -129.62 16.46 5.9 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 122.369 1.08 . . . . 0.0 108.868 179.49 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 30.9 mt -73.83 121.5 20.98 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.083 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.524 ' HB2' ' OD2' ' B' ' 79' ' ' ASP . 76.9 mm-40 -93.0 160.13 15.01 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.158 175.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.41 ' O ' HD11 ' B' ' 81' ' ' LEU . 34.3 ttmt -51.22 -47.2 62.39 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 123.767 0.827 . . . . 0.0 112.015 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.7 68.83 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.072 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' B' ' 76' ' ' GLU . 22.9 m-20 -78.76 -44.49 23.21 Favored 'General case' 0 CA--C 1.485 -1.556 0 CA-C-O 121.639 0.733 . . . . 0.0 109.479 -174.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.428 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.2 mt -62.88 -51.46 71.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.363 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.508 ' O ' HG21 ' B' ' 85' ' ' VAL . 7.6 mp -53.81 -52.71 59.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 123.657 0.598 . . . . 0.0 110.96 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.667 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.6 tt0 -59.47 -41.58 90.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.117 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 42.5 ttm -64.7 -35.28 80.54 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.559 0.695 . . . . 0.0 110.089 -172.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 11.3 m -70.64 -42.78 70.4 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.073 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 60.3 t -65.64 -43.41 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 109.79 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.667 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -62.43 -40.88 98.01 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.241 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.498 ' CG ' HD11 ' B' ' 65' ' ' LEU . 68.7 t60 -63.54 -34.14 77.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.79 0.329 . . . . 0.0 110.235 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 20.8 tp -55.66 -47.66 76.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.91 91.43 Favored 'General case' 0 CA--C 1.496 -1.107 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.282 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -57.6 -50.71 72.24 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.699 0.624 . . . . 0.0 110.223 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 96.7 mt -67.09 -30.42 70.44 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.812 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.03 -18.77 59.11 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.93 5.09 14.98 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.022 -0.424 . . . . 0.0 111.563 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.97 -11.75 60.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.583 0.706 . . . . 0.0 110.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.413 -2.275 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 CA--C 1.497 -1.067 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.23 -24.55 61.4 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.799 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -75.26 -46.15 35.52 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -64.49 -41.26 96.57 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.014 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.7 ttm180 -58.69 -56.94 15.67 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.227 176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HA ' HD13 ' A' ' 50' ' ' ILE . 52.8 ttt180 -60.84 -42.62 98.15 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.172 0.589 . . . . 0.0 111.841 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.1 -50.24 74.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 123.637 0.585 . . . . 0.0 109.527 177.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -67.43 -29.07 68.45 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.1 mt -59.73 -53.27 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -65.42 -47.32 76.63 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.126 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 33.5 mt-10 -63.86 -37.02 85.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 m -77.3 -36.01 54.48 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.12 -32.97 69.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.887 0.851 . . . . 0.0 108.956 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -72.73 -43.66 62.68 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.166 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 11.4 pt20 -68.56 -31.57 70.88 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.525 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.63 -58.72 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.201 1.0 . . . . 0.0 110.524 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -60.75 -32.48 71.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.879 0.371 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' ASP . 96.8 m -66.48 -53.24 37.42 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.716 -177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 83.3 mt -67.05 -39.82 87.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.397 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.579 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 35.1 mm -59.97 -54.06 39.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.235 0.541 . . . . 0.0 110.581 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp -68.08 -26.18 65.7 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.046 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' THR . 4.0 t70 -81.63 -25.65 35.46 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.054 0.454 . . . . 0.0 111.092 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.02 -34.62 24.27 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.832 0.825 . . . . 0.0 109.674 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 17.6 mt -93.23 -38.19 11.67 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.725 -174.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 51.26 65.05 1.6 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-O 122.337 1.065 . . . . 0.0 111.125 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -86.1 -80.16 0.24 Allowed 'General case' 0 N--CA 1.414 -2.273 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.141 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.54 131.92 12.9 Favored 'General case' 0 CA--C 1.486 -1.517 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -79.99 -15.73 56.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.958 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -70.95 -33.31 70.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.866 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -86.95 -20.17 27.71 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.269 0.557 . . . . 0.0 109.967 176.59 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -71.53 145.46 49.1 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m 72.2 1.15 3.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.185 0.993 . . . . 0.0 111.497 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.501 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -131.32 21.48 4.79 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 11.7 mt -93.9 116.13 28.56 Favored 'General case' 0 N--CA 1.414 -2.257 0 CA-C-N 112.588 -2.096 . . . . 0.0 109.184 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.87 153.89 28.74 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.4 ttmt -49.61 -50.18 43.81 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.3 0.64 . . . . 0.0 112.268 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.0 69.22 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.926 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -40.12 30.72 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.49 -0.777 . . . . 0.0 108.99 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.0 mt -67.73 -47.82 78.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.305 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 82.3 mt -53.79 -52.91 58.75 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.754 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 23.1 tt0 -63.04 -34.8 78.35 Favored 'General case' 0 C--O 1.204 -1.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.999 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.61 -31.32 71.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 m -75.86 -46.93 27.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.936 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.706 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 51.9 t -62.51 -43.84 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.282 0.563 . . . . 0.0 109.841 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 69.2 mttt -64.64 -32.55 74.26 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.572 ' ND1' HD22 ' A' ' 65' ' ' LEU . 50.8 t60 -66.49 -34.37 77.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.637 177.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.6 pp -72.53 -28.5 62.89 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.125 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.48 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 10.9 mmm-85 -67.32 -42.58 83.38 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -61.25 -43.71 98.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.196 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.41 -46.27 83.97 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.962 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.8 mm-40 -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -175.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -12.76 57.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.866 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.933 -177.25 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.92 -48.35 66.2 Favored 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 123.478 0.486 . . . . 0.0 110.166 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -56.97 -45.11 83.12 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.28 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.565 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.8 ttm180 -63.27 -53.5 51.9 Favored 'General case' 0 C--O 1.203 -1.393 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.929 178.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -51.83 -53.05 44.7 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.749 1.22 . . . . 0.0 111.901 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.92 92.07 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 122.553 0.341 . . . . 0.0 110.394 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -63.45 -35.26 79.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.151 0.282 . . . . 0.0 110.373 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.9 mt -59.45 -59.68 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -57.33 -46.21 83.48 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.19 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.98 -35.25 78.05 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -74.75 -37.75 62.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 119.851 -0.739 . . . . 0.0 109.661 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.62 -34.93 76.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -67.93 -49.46 61.66 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.11 -29.63 68.6 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.924 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.44 ' O ' HG12 ' B' ' 61' ' ' ILE . 6.7 tt -55.96 -58.5 7.64 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.279 1.032 . . . . 0.0 110.846 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -63.55 -30.32 71.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.825 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.417 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 89.1 m -67.6 -51.77 46.34 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.35 -32.77 73.1 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.44 HG12 ' O ' ' B' ' 57' ' ' LEU . 37.3 mm -63.78 -55.24 23.63 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-O 121.365 0.602 . . . . 0.0 110.15 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.65 -19.52 65.78 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.116 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -77.65 -32.35 53.22 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.031 0.443 . . . . 0.0 111.751 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.54 -32.14 26.02 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.681 0.753 . . . . 0.0 110.002 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.434 HD12 ' HE3' ' B' ' 67' ' ' LYS . 8.2 mt -102.01 -39.8 7.15 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.289 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt 50.17 40.6 22.32 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.917 0.887 . . . . 0.0 110.982 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.434 ' HE3' HD12 ' B' ' 65' ' ' LEU . 89.9 mttt -55.6 -62.82 1.43 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.865 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.7 t70 -162.03 135.09 6.09 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -87.66 -15.43 37.22 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.626 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' SER . . . . . 0.48 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 14.5 t -70.08 -45.18 67.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -75.16 -20.86 59.15 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 177.311 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -69.45 -28.55 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -90.95 15.71 10.92 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.904 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 71.78 0.83 Allowed 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 21.2 mt -116.55 117.92 31.2 Favored 'General case' 0 N--CA 1.395 -3.187 0 CA-C-N 113.899 -1.501 . . . . 0.0 111.602 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.65 151.73 28.83 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.8 ttmt -52.63 -42.86 65.0 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.398 0.618 . . . . 0.0 111.319 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.75 -35.38 72.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.547 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.87 -39.78 34.29 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.002 0.906 . . . . 0.0 108.594 -173.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.493 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.8 mt -63.51 -51.49 69.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.068 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.534 ' O ' HG23 ' B' ' 85' ' ' VAL . 83.4 mt -57.84 -47.7 81.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.575 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 19.8 tt0 -58.85 -41.92 88.1 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.564 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 36.0 tpp -68.99 -29.51 67.73 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.71 0.767 . . . . 0.0 109.622 -174.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.404 HG21 HD11 ' B' ' 61' ' ' ILE . 20.9 m -75.05 -45.47 41.34 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.072 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.693 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 68.9 t -65.68 -42.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.915 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 44.6 mttm -63.12 -36.86 84.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.077 0.465 . . . . 0.0 111.306 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -66.86 -34.29 77.47 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.561 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 3.1 pp -67.64 -33.54 75.17 Favored 'General case' 0 C--O 1.204 -1.327 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.123 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -57.67 -48.99 77.98 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.1 -54.36 40.54 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.965 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.27 -17.42 64.28 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.401 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.95 -39.01 21.97 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.94 7.83 36.75 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.113 -172.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 -5.89 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.71 0.767 . . . . 0.0 109.897 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 CA--C 1.505 -0.779 0 CA-C-O 120.78 0.324 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.55 -34.43 75.83 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -67.98 -47.13 69.41 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -53.82 -52.85 59.03 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.053 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.554 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -68.56 -48.23 64.79 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.244 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HA ' HD12 ' A' ' 50' ' ' ILE . 79.1 ttt180 -53.28 -48.8 68.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.461 0.704 . . . . 0.0 111.685 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -60.69 -49.2 78.45 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.162 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -63.23 -33.24 75.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -57.36 -55.43 20.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.96 -45.62 91.61 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.65 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 54.7 mt-10 -63.26 -37.93 89.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 m -76.07 -39.86 54.45 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.273 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.5 -37.03 85.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 t -58.07 -54.79 42.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -70.17 -31.45 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.89 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -57.23 -59.87 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.349 0.659 . . . . 0.0 110.372 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.96 -27.71 69.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -66.98 -51.32 56.52 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.485 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.91 -31.83 64.91 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.6 mm -64.52 -35.83 75.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.952 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.4 -38.89 59.63 Favored 'General case' 0 C--O 1.192 -1.944 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.516 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.85 -29.16 61.97 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.368 0.604 . . . . 0.0 112.025 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.38 33.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 122.087 -0.383 . . . . 0.0 110.044 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.37 -30.69 16.39 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.414 -0.915 . . . . 0.0 112.113 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 55.01 38.15 30.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.438 1.095 . . . . 0.0 111.588 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -55.8 -71.83 0.08 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.951 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -177.4 152.3 0.83 Allowed 'General case' 0 CA--C 1.465 -2.305 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -82.1 -27.63 32.74 Favored 'General case' 0 N--CA 1.408 -2.548 0 O-C-N 124.048 0.842 . . . . 0.0 111.547 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 t -69.67 -42.52 74.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.414 0.626 . . . . 0.0 109.323 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -7.61 56.96 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.06 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 15.0 t-160 -89.6 -36.5 15.26 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m -70.73 -11.01 60.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.988 0.899 . . . . 0.0 111.579 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -129.34 23.99 5.53 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.693 -179.37 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.536 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.7 tp -81.57 115.09 20.69 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.686 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.9 mm-40 -72.72 146.2 46.63 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.615 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -49.91 -43.51 49.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.261 0.553 . . . . 0.0 111.355 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.86 -35.02 70.37 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.553 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -79.19 -44.89 20.98 Favored 'General case' 0 CA--C 1.479 -1.776 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.417 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 81.4 mt -54.28 -51.96 43.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.227 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 80.9 mt -59.93 -49.7 76.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.739 0.304 . . . . 0.0 110.276 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.0 tt0 -58.02 -40.16 80.16 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.624 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.407 ' HA ' ' HE3' ' A' ' 83' ' ' MET . 0.1 OUTLIER -67.23 -31.54 71.97 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.326 -173.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -72.68 -38.9 67.43 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.378 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 54.7 t -67.51 -44.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 66.2 mttt -61.67 -38.57 88.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.37 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.38 -35.19 78.41 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.6 tp -61.03 -43.97 98.09 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -65.6 -42.51 91.54 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.592 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -61.82 -42.3 98.85 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.861 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.27 -44.49 68.31 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.68 -30.39 71.4 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.158 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -4.69 46.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.682 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.952 0 CA-C-O 121.526 0.679 . . . . 0.0 110.981 -177.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -69.25 -40.44 77.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -60.54 -48.53 81.38 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.521 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.531 ' O ' HG13 ' B' ' 50' ' ' ILE . 14.5 ttt180 -62.63 -50.65 70.38 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.07 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -55.14 -44.71 75.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.331 1.052 . . . . 0.0 111.177 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.54 -53.85 52.7 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -61.89 -33.43 74.2 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.563 0.539 . . . . 0.0 111.725 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 46' ' ' ARG . 99.0 mt -60.16 -53.27 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -64.77 -42.68 94.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.411 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 44.1 mt-10 -60.49 -42.39 96.22 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.457 0.473 . . . . 0.0 111.861 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 23.2 m -74.57 -43.19 56.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.458 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 3.3 tt -63.67 -42.44 98.07 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.606 0.717 . . . . 0.0 109.94 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.2 m -68.66 -41.91 78.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.523 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.78 -31.23 67.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.406 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.429 HD23 ' OG1' ' B' ' 84' ' ' THR . 8.9 tt -55.96 -57.35 12.46 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.409 1.084 . . . . 0.0 110.358 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -61.35 -33.55 73.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -66.77 -50.52 62.43 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.07 -29.5 66.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.415 HG22 ' HG2' ' B' ' 83' ' ' MET . 31.5 mm -67.84 -48.4 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.021 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 4.3 mm? -64.61 -20.25 66.16 Favored 'General case' 0 C--O 1.188 -2.133 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 177.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 23.8 t70 -83.13 -37.57 23.58 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.145 0.497 . . . . 0.0 111.12 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.77 -34.4 58.03 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.976 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' B' ' 87' ' ' HIS . 4.4 mp -107.38 -37.04 6.34 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.019 -1.073 . . . . 0.0 111.008 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.507 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 26.9 mtmt 57.53 71.15 0.6 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.96 0.886 . . . . 0.0 110.68 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.59 -62.11 1.79 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.291 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -173.57 149.47 1.65 Allowed 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.0 p -85.93 -21.83 27.74 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.513 0.508 . . . . 0.0 111.867 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -70.47 -46.81 63.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.08 -15.11 61.5 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.18 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.505 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 12.1 t-160 -77.6 -37.84 49.45 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.3 m -89.17 0.07 57.04 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.551 0.691 . . . . 0.0 112.174 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -15.63 14.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.765 178.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 20.3 mt -39.82 110.54 0.15 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.416 ' O ' HG13 ' B' ' 80' ' ' ILE . 39.5 mt-10 -80.71 150.61 29.27 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.49 ' HZ1' ' HB2' ' B' ' 77' ' ' LYS . 2.9 ttmp? -50.28 -46.68 55.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 112.213 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.37 -29.99 70.25 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 123.834 0.854 . . . . 0.0 112.331 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -78.68 -41.66 30.6 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 72.1 mt -64.6 -51.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.602 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.543 ' O ' HG21 ' B' ' 85' ' ' VAL . 7.5 mp -54.93 -53.12 59.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.663 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.696 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.7 tt0 -64.44 -35.66 81.65 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.352 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.415 ' HG2' HG22 ' B' ' 61' ' ' ILE . 44.3 ttp -60.67 -43.82 97.21 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.812 0.815 . . . . 0.0 110.348 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.429 ' OG1' HD23 ' B' ' 57' ' ' LEU . 6.9 m -67.39 -41.75 84.46 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.46 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.677 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 47.4 t -64.62 -46.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.266 0.555 . . . . 0.0 109.939 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.696 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.1 mtmt -61.85 -36.72 82.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.777 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' B' ' 65' ' ' LEU . 55.2 t60 -70.49 -33.37 71.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.7 pp -66.74 -33.4 75.55 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.915 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.641 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.3 mpt_? -57.64 -50.93 71.52 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 123.507 0.505 . . . . 0.0 109.967 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.4 -47.58 81.32 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 123.897 0.748 . . . . 0.0 111.056 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.23 -22.48 62.9 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.104 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.09 -38.34 31.91 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 120.897 0.38 . . . . 0.0 111.782 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.1 OUTLIER -102.48 13.45 34.51 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.117 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.5 52.39 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.637 0.732 . . . . 0.0 109.787 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.416 -2.173 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.409 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.505 -0.781 0 CA-C-O 121.043 0.449 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.51 -25.77 45.68 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.834 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -34.72 60.63 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -59.7 -50.51 73.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.862 173.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.6 ttm180 -59.22 -48.2 82.52 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.658 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -53.63 -49.83 67.02 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.642 0.777 . . . . 0.0 110.969 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.54 -47.35 85.9 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -63.17 -34.47 77.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.0 mt -60.12 -53.49 47.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.677 175.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -59.47 -43.08 93.33 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.711 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 58.0 mt-10 -59.52 -42.55 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.638 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -76.67 -37.02 56.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.474 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.08 -40.57 78.38 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.677 0.751 . . . . 0.0 109.268 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -69.2 -44.18 72.63 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.771 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -71.22 -27.98 63.87 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.414 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.444 HD21 ' OG1' ' A' ' 84' ' ' THR . 9.3 tt -58.24 -57.22 13.86 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.273 0.629 . . . . 0.0 110.217 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -61.77 -33.28 73.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -69.48 -47.93 62.32 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.452 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.1 -37.32 72.4 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.43 -41.89 93.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.89 0.853 . . . . 0.0 109.201 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 6.5 tp -73.44 -20.61 60.67 Favored 'General case' 0 C--O 1.198 -1.617 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.472 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.18 -33.23 24.24 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.838 0.828 . . . . 0.0 111.049 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' HE21 ' B' ' 92' ' ' GLN . . . -80.77 -37.7 29.89 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.912 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.36 -29.68 10.59 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.78 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 28.1 mtmt 59.17 55.18 4.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.506 0.669 . . . . 0.0 111.989 172.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.82 -72.54 0.15 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.832 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.58 146.21 2.15 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.9 m -83.76 -19.76 34.55 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 123.558 0.536 . . . . 0.0 110.791 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 m -71.88 -40.88 68.63 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 109.415 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -23.42 60.72 Favored 'General case' 0 C--O 1.203 -1.343 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.427 ' ND1' HD21 ' A' ' 62' ' ' LEU . 25.5 t60 -68.34 -28.95 67.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 176.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -86.15 -10.88 53.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.852 0.834 . . . . 0.0 112.081 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HE2' ' O ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -91.9 -40.32 11.23 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 6.7 tp -38.41 98.17 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 128.57 2.748 . . . . 0.0 111.908 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.4 167.63 19.22 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.413 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.4 ttpt -59.13 -40.25 84.86 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.346 0.593 . . . . 0.0 111.8 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HB2' ' HG3' ' B' ' 49' ' ' ARG . . . -63.21 -30.48 71.61 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.218 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.37 -52.97 8.25 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.436 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 84.2 mt -49.05 -52.44 10.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 113.823 -1.535 . . . . 0.0 112.23 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 76.9 mt -61.03 -50.04 74.95 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 123.165 0.29 . . . . 0.0 111.049 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.64 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 31.0 tt0 -62.99 -33.38 75.28 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.89 -53.9 52.61 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.444 ' OG1' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -55.39 -44.19 75.9 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.569 0.224 . . . . 0.0 111.548 176.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 81' ' ' LEU . 44.2 t -59.42 -51.39 73.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.529 0.681 . . . . 0.0 110.744 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mtmt -65.8 -30.67 71.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.837 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -77.73 -25.42 49.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.686 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tm? -61.42 -43.03 99.57 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 6.6 mmm-85 -60.53 -48.76 80.34 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.718 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.48 -54.4 47.5 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.371 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.59 -30.65 71.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.798 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.474 HE21 ' HB2' ' B' ' 64' ' ' ALA . 12.3 mm-40 -75.81 -19.38 58.99 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.7 ppt_? -110.57 10.07 23.05 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.789 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 0.0 110.083 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.211 -0.951 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.48 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.16 -47.56 79.38 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.967 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.458 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.9 ttm180 -58.52 -53.27 60.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 123.748 0.655 . . . . 0.0 110.298 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.427 ' HA ' HD11 ' B' ' 50' ' ' ILE . 64.1 ttt180 -53.55 -47.31 70.14 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 124.626 1.17 . . . . 0.0 110.562 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.63 -52.26 66.16 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . 0.467 ' HG3' ' HB2' ' A' ' 78' ' ' ALA . 9.6 tpp180 -60.23 -31.59 70.33 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.101 0.251 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -62.99 -57.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -62.73 -38.37 90.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.39 -37.61 77.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.247 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' SER . . . . . 0.444 ' HA ' HE21 ' B' ' 56' ' ' GLN . 19.8 p -72.02 -36.0 69.56 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.652 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.37 -38.0 88.73 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.138 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 t -63.94 -49.84 71.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.527 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' B' ' 53' ' ' SER . 26.8 pt20 -69.2 -28.03 66.01 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.58 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tt -60.94 -59.12 5.88 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.066 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -57.78 -38.9 76.26 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.234 0.334 . . . . 0.0 110.609 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.6 m -58.79 -52.66 64.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.848 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.2 -29.37 57.61 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.93 -47.42 88.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 120.899 0.38 . . . . 0.0 110.259 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.93 63.34 Favored 'General case' 0 C--O 1.205 -1.287 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 59' ' ' THR . 6.1 t70 -73.28 -37.62 66.19 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 121.135 0.493 . . . . 0.0 111.07 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.474 ' HB2' HE21 ' A' ' 92' ' ' GLN . . . -82.83 -42.93 17.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.301 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.46 -29.97 27.61 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.018 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 63' ' ' ASP . 35.9 mtmt 49.77 67.31 0.92 Allowed 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 124.381 1.072 . . . . 0.0 113.107 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.462 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -83.8 -72.83 0.44 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.145 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -175.29 155.51 1.89 Allowed 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 t -80.89 -29.16 35.72 Favored 'General case' 0 N--CA 1.405 -2.688 0 O-C-N 123.738 0.649 . . . . 0.0 111.719 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -64.23 -47.09 80.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.729 0.3 . . . . 0.0 110.473 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 9.5 ptp180 -68.7 -38.85 80.6 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.258 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.431 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 10.7 t-160 -56.65 -33.75 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 26.6 m -77.64 -1.23 29.89 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 122.089 0.947 . . . . 0.0 111.561 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.452 ' HE2' ' OD2' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -109.82 -29.14 8.43 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.002 176.202 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 tp -45.03 110.99 0.27 Allowed 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.761 1.624 . . . . 0.0 113.026 -171.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.2 164.8 17.87 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.631 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.457 ' HE3' HD12 ' A' ' 50' ' ' ILE . 25.5 ttpt -54.65 -40.22 68.8 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.541 0.525 . . . . 0.0 111.732 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.93 68.84 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.495 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.452 ' OD2' ' HE2' ' B' ' 74' ' ' LYS . 42.5 m-20 -77.7 -53.01 8.04 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.07 -50.13 20.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 113.664 -1.607 . . . . 0.0 111.535 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.509 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.5 mp -60.44 -46.75 88.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.63 0.581 . . . . 0.0 112.203 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.667 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.3 tt0 -64.82 -37.54 87.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.767 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.462 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 27.6 tpp -62.06 -30.95 71.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -44.26 49.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.519 0.676 . . . . 0.0 109.493 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.509 HG22 ' O ' ' B' ' 81' ' ' LEU . 40.6 t -61.82 -40.62 87.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.375 0 CA-C-O 122.268 1.032 . . . . 0.0 109.676 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.667 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.3 mtmt -69.25 -30.64 68.81 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.031 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . 0.423 ' HD1' HD11 ' B' ' 91' ' ' LEU . 0.0 OUTLIER -63.25 -35.52 80.6 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.224 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -52.76 64.2 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.456 ' NH1' HG11 ' B' ' 85' ' ' VAL . 4.5 mpt_? -58.68 -46.91 86.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.721 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . 0.492 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 90.0 m-20 -59.75 -47.9 83.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 123.571 0.748 . . . . 0.0 112.588 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.423 HD11 ' HD1' ' B' ' 87' ' ' HIS . 97.0 mt -74.05 -37.01 64.42 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.816 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 64' ' ' ALA . 13.3 mm-40 -70.18 -24.11 63.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -86.76 -8.64 57.19 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.775 0.798 . . . . 0.0 109.643 -179.433 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.22 59.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.004 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 120.853 0.359 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.85 -30.28 66.63 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.239 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -71.74 -34.97 69.97 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -64.08 -43.17 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.576 0.703 . . . . 0.0 109.441 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.37 -49.36 60.74 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.813 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.12 -46.86 75.62 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.433 1.093 . . . . 0.0 111.755 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.25 -49.33 74.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.29 -36.92 83.58 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.041 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.76 -49.7 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 110.0 176.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -63.96 -44.81 91.65 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 30.1 mm-40 -63.48 -40.5 97.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.215 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.5 p -74.93 -41.81 58.94 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.933 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.2 -40.58 96.54 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -68.28 -42.4 79.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.327 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -69.38 -32.76 72.0 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 119.711 -0.796 . . . . 0.0 108.862 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 HD21 ' OG1' ' A' ' 84' ' ' THR . 8.3 tt -57.66 -58.86 6.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.961 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.83 -34.83 72.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.254 0.346 . . . . 0.0 111.092 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 m -64.12 -52.95 56.68 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.918 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.22 -33.45 67.58 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -65.53 -52.36 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 O-C-N 123.105 0.253 . . . . 0.0 111.424 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -61.75 -32.04 72.26 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.591 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.8 -26.73 57.53 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 123.893 0.877 . . . . 0.0 111.148 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.63 -29.32 27.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.177 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 87' ' ' HIS . 5.9 mp -98.04 -35.71 10.35 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.002 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 58.96 69.41 0.73 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.921 1.343 . . . . 0.0 111.878 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -85.94 -65.79 0.97 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 112.929 -1.942 . . . . 0.0 111.214 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -175.18 147.25 0.89 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 t -83.03 -20.16 35.54 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-O 121.072 0.463 . . . . 0.0 110.492 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -71.78 -43.66 65.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -6.43 56.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.369 0.604 . . . . 0.0 110.349 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 13.1 t-160 -89.38 -18.3 27.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.875 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 m -98.09 -4.81 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.876 0.846 . . . . 0.0 111.187 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.38 73.83 1.55 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.732 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.1 tp -126.79 107.32 10.03 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.27 -173.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -76.73 149.89 36.32 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.538 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -48.35 -45.7 35.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.209 0.603 . . . . 0.0 112.422 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.87 -31.72 73.0 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.95 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -78.44 -35.2 47.19 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.245 1.021 . . . . 0.0 108.506 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.732 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.8 mt -67.9 -52.33 40.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.736 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 85' ' ' VAL . 78.3 mt -55.8 -51.77 66.32 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 123.378 0.424 . . . . 0.0 109.971 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 24.3 tt0 -59.36 -36.51 75.86 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.505 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.0 ttm -67.54 -39.75 85.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.814 0.816 . . . . 0.0 109.519 -176.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.44 ' OG1' HD21 ' A' ' 57' ' ' LEU . 9.0 m -67.7 -44.81 76.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.004 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 81' ' ' LEU . 45.2 t -66.38 -43.41 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.43 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.25 -36.09 82.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.538 -178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.472 ' CG ' HD12 ' A' ' 65' ' ' LEU . 9.9 t-80 -70.67 -27.25 63.88 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 27.1 tp -61.85 -45.63 92.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.8 mpt_? -57.77 -47.57 82.14 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.443 0.464 . . . . 0.0 109.804 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -54.38 -54.44 40.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 124.126 0.891 . . . . 0.0 111.623 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -66.27 -34.98 79.22 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.355 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -70.14 -19.6 63.21 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.1 ppt_? -111.04 -1.57 16.24 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 121.929 -0.482 . . . . 0.0 111.84 -175.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.188 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.53 -177.21 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 CA--C 1.502 -0.877 0 N-CA-C 111.368 0.136 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -68.86 -46.95 67.17 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -59.39 -49.94 75.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.44 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ARG . . . . . 0.574 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.4 ttm180 -63.96 -57.17 10.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.388 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ARG . . . . . 0.481 ' HA ' HD11 ' B' ' 50' ' ' ILE . 76.6 ttt180 -60.08 -39.14 85.03 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 122.97 0.508 . . . . 0.0 111.847 -174.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -57.08 -54.51 45.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.593 0.558 . . . . 0.0 109.555 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -65.66 -27.97 68.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.986 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 46' ' ' ARG . 92.7 mt -61.54 -54.14 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -66.04 -43.72 86.73 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.473 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 49.1 mt-10 -61.66 -43.2 99.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.875 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -75.99 -37.66 58.25 Favored 'General case' 0 N--CA 1.436 -1.175 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.978 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.77 -39.32 80.29 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -65.5 -48.77 71.45 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . 0.404 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.3 pt20 -68.6 -28.75 67.2 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.518 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.82 -58.74 7.05 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -61.32 -30.56 70.57 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.454 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 50.0 m -66.78 -54.7 20.01 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.921 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.64 -41.04 96.42 Favored 'General case' 0 C--O 1.2 -1.506 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.439 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.65 -45.9 90.55 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 CA-C-O 121.599 0.714 . . . . 0.0 111.482 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' ND1' ' B' ' 72' ' ' HIS . 0.8 OUTLIER -70.02 -41.92 73.64 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.068 -177.179 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 9.8 t70 -79.93 -28.08 39.76 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -173.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -31.85 31.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.73 -16.4 15.46 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 118.671 -1.212 . . . . 0.0 112.686 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' B' ' 63' ' ' ASP 0.267 23.5 mtmt 48.74 65.26 1.4 Allowed 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.635 1.174 . . . . 0.0 113.862 178.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -62.31 -80.84 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.548 -2.115 . . . . 0.0 111.365 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -177.27 154.22 1.02 Allowed 'General case' 0 CA--C 1.475 -1.912 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -85.36 -26.41 26.51 Favored 'General case' 0 C--N 1.269 -2.898 0 O-C-N 123.818 0.699 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.0 t -67.8 -43.66 79.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -10.13 59.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.695 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.452 ' ND1' ' HG ' ' B' ' 62' ' ' LEU . 80.2 t60 -67.44 -21.45 65.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.532 0.682 . . . . 0.0 109.375 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -85.39 10.19 13.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -141.98 73.23 1.4 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.555 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.49 117.04 16.69 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.987 174.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -94.61 159.31 15.14 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 24.7 ttpt -55.57 -41.44 73.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.212 0.46 . . . . 0.0 112.006 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.92 71.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.183 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.61 -43.01 27.41 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.967 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.78 -46.19 96.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.845 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.8 mt -62.02 -50.54 71.61 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.399 0.437 . . . . 0.0 110.129 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 14.7 tt0 -57.83 -37.68 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.956 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.1 tpp -59.64 -48.64 80.85 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 123.541 0.526 . . . . 0.0 109.859 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -40.99 90.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 48.4 t -65.75 -48.41 82.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.197 0.522 . . . . 0.0 110.096 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 77.9 mttt -65.38 -33.72 76.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.439 0.638 . . . . 0.0 110.764 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.27 -26.99 60.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.477 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 24.3 tp -60.27 -43.75 95.94 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 7.6 mmm-85 -61.34 -48.23 82.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.952 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.53 -54.49 46.41 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.613 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 86.2 mt -70.84 -17.24 62.75 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.608 -176.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -86.6 -19.58 29.16 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -107.75 4.94 26.18 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.669 179.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -12.87 61.73 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.953 0.882 . . . . 0.0 110.424 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.403 -2.809 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tptt 65.87 88.95 0.11 Allowed Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 124.148 0.979 . . . . 0.0 111.563 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -78.68 106.05 2.05 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 122.247 1.964 . . . . 0.0 111.302 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -87.26 102.06 14.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.9 m -116.9 -23.01 8.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.181 0.515 . . . . 0.0 110.654 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.52 101.68 5.23 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-O 121.02 0.438 . . . . 0.0 110.639 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 p -147.89 -45.66 0.16 Allowed 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.451 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.19 155.2 18.17 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -89.39 104.82 17.34 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 120.657 0.265 . . . . 0.0 111.41 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -87.41 86.86 7.28 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' HZ1' ' CD ' ' A' ' 43' ' ' GLU . 22.3 tptp -144.77 127.04 15.77 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 113.306 -1.77 . . . . 0.0 107.92 -169.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m -135.31 132.02 37.19 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 119.502 -0.285 . . . . 0.0 110.48 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p 176.27 177.88 0.23 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 125.082 1.353 . . . . 0.0 108.434 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -91.02 131.95 35.7 Favored Pre-proline 0 C--N 1.305 -1.353 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.73 -40.64 82.86 Favored 'Trans proline' 0 C--O 1.23 0.085 0 C-N-CA 123.272 2.648 . . . . 0.0 111.524 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.3 tt -68.83 -46.31 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.793 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm -67.16 -40.31 86.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' A' ' 36' ' ' LYS . 13.3 pt-20 -70.44 -25.2 63.09 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.775 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.2 60.22 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 79.2 mtp180 -65.99 -42.11 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.542 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.8 ttm180 -59.43 -48.62 80.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.612 175.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' ILE . 78.3 ttt180 -52.71 -45.25 66.83 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.176 0.99 . . . . 0.0 111.592 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.36 -49.96 75.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 123.75 0.656 . . . . 0.0 109.703 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -65.03 -31.31 72.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.7 mt -59.2 -52.73 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.955 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 44.9 mt-10 -57.04 -45.77 82.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.356 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.8 m -69.1 -45.24 70.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.531 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.2 -36.29 83.73 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.692 0.62 . . . . 0.0 110.24 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 22.9 t -63.26 -53.34 54.47 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.198 0.523 . . . . 0.0 110.547 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -71.15 -25.76 62.7 Favored 'General case' 0 C--N 1.317 -0.848 0 O-C-N 121.776 -0.577 . . . . 0.0 110.892 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.38 -57.63 12.14 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 123.823 0.849 . . . . 0.0 110.487 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 55' ' ' SER . 65.8 pttt -58.64 -37.74 76.59 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.8 0.333 . . . . 0.0 110.706 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.8 m -58.81 -59.79 4.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.637 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.02 -27.89 66.93 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.0 mm -71.41 -55.26 14.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.266 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -174.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.669 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 3.6 m-20 -74.71 -24.77 58.8 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.07 63.95 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.971 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 65' ' ' LEU . 3.7 mp -99.95 -19.77 16.43 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 119.571 -0.852 . . . . 0.0 111.373 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.669 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.3 mmpt? 63.35 48.83 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.641 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.816 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 48.2 mttp -57.41 -77.44 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.812 174.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.554 ' OD2' ' HB3' ' A' ' 70' ' ' SER . 34.0 t70 -168.74 131.45 1.35 Allowed 'General case' 0 CA--C 1.461 -2.462 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.6 m -86.78 -15.34 39.63 Favored 'General case' 0 N--CA 1.406 -2.644 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.9 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.554 ' HB3' ' OD2' ' A' ' 68' ' ' ASP . 38.2 t -71.8 -49.67 36.57 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.474 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -71.63 -13.29 61.71 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 14.1 t-80 -67.11 -16.74 64.51 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.156 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.1 p -79.17 -6.2 55.98 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.71 0.766 . . . . 0.0 110.989 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 74.81 1.46 Allowed 'General case' 0 N--CA 1.424 -1.764 0 CA-C-O 122.352 1.073 . . . . 0.0 109.101 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.39 123.64 50.56 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.853 171.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -64.99 142.88 58.28 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.0 ttmt -50.49 -39.73 49.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.21 73.83 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.65 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 83' ' ' MET . 21.1 t70 -76.13 -34.33 59.45 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.462 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 78.8 mt -68.26 -50.18 60.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.653 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.6 mt -60.43 -50.96 71.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 11.5 tt0 -59.71 -35.51 74.66 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.816 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 24.6 tpp -67.37 -35.12 78.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.691 0.758 . . . . 0.0 109.298 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.1 m -72.3 -44.16 63.14 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.052 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 81' ' ' LEU . 60.8 t -63.8 -42.88 97.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mttm -66.3 -36.7 83.62 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.626 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.24 -27.07 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tt -64.47 -43.4 94.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.633 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 18.0 mmm180 -61.93 -45.04 95.45 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.517 -1.22 . . . . 0.0 109.137 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.52 -48.44 81.66 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.487 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 97.7 mt -62.99 -34.95 78.64 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.207 0.527 . . . . 0.0 111.697 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -70.53 -28.93 65.32 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.59 -7.88 8.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -173.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.53 -8.65 40.76 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.427 -0.796 . . . . 0.0 110.837 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.546 ' NE2' ' HA ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.636 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.423 ' O ' ' HD3' ' B' ' 28' ' ' PRO . 2.9 mpp? . . . . . 0 CA--C 1.501 -0.932 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.44 91.86 10.74 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' B' ' 26' ' ' MET . 3.9 Cg_exo -81.3 176.2 8.95 Favored 'Trans proline' 0 N--CA 1.437 -1.816 0 C-N-CA 122.135 1.89 . . . . 0.0 111.203 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -67.93 95.65 0.55 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.95 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -62.85 129.5 40.7 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-O 121.748 0.785 . . . . 0.0 111.223 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.18 122.74 41.71 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.175 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -85.05 85.77 7.45 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -81.33 100.75 9.38 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.852 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -109.9 121.97 46.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -75.13 119.82 19.8 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.493 0.663 . . . . 0.0 111.973 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -158.54 87.34 0.88 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 173.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.5 m -95.46 154.59 17.13 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.556 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 15.9 p -152.96 -78.64 0.11 Allowed 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.9 mmpt? -105.93 116.76 59.16 Favored Pre-proline 0 C--N 1.278 -2.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.596 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.04 -40.96 81.71 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 123.316 2.678 . . . . 0.0 111.552 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.57 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 9.1 tt -69.82 -45.84 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.608 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mmt -69.39 -39.87 77.73 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.45 -26.05 62.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -75.28 -40.74 58.4 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 69.5 mtp180 -62.83 -40.81 98.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.46 176.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.573 ' O ' HG13 ' B' ' 50' ' ' ILE . 37.8 ttm180 -58.06 -54.8 42.84 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.267 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.473 ' HA ' HD13 ' B' ' 50' ' ' ILE . 20.2 ttt180 -52.1 -50.02 62.45 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 124.535 1.134 . . . . 0.0 111.305 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.85 -48.21 78.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.103 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -66.25 -31.11 71.73 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.954 -178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -61.59 -45.21 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.33 -43.39 86.26 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.173 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 28.4 mm-40 -57.05 -44.8 83.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.981 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p -76.31 -42.07 46.45 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.575 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.55 -38.56 91.61 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.71 -49.72 71.98 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.707 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.731 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -56.02 -58.46 7.83 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.006 0.923 . . . . 0.0 109.67 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.02 -44.35 70.88 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.914 0.885 . . . . 0.0 110.725 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -60.43 -55.31 35.06 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.943 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.02 -31.61 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 28.2 mm -66.72 -55.5 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.515 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.62 -28.76 70.13 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.563 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.5 OUTLIER -80.54 -25.79 38.44 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.35 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.77 -32.07 25.6 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.506 HD13 ' N ' ' B' ' 65' ' ' LEU . 5.7 mp -90.18 -30.52 17.54 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.436 -0.505 . . . . 0.0 111.073 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.563 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 56.33 58.07 4.51 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.133 0.968 . . . . 0.0 110.5 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.705 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -78.27 -73.8 0.3 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.368 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -169.59 154.01 5.35 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -85.65 -21.63 28.31 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.757 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -73.64 -37.95 65.17 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.628 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -81.01 -6.49 58.85 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -81.87 -41.01 21.59 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 34.0 m -78.88 9.61 4.09 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.731 0.777 . . . . 0.0 110.723 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.19 30.08 2.21 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.737 1.256 . . . . 0.0 107.615 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 17.9 mt -85.07 107.49 17.2 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.835 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.58 148.61 42.77 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 27.7 ttmt -50.9 -43.11 59.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.9 71.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.154 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' B' ' 83' ' ' MET . 39.3 t0 -74.36 -39.6 62.65 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.49 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.1 mt -66.25 -52.46 47.35 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.564 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.7 mt -57.94 -52.65 64.62 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.638 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 37.9 tt0 -68.08 -28.04 67.01 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.013 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.705 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 46.3 tpp -64.4 -36.65 84.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.434 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 7.8 m -65.42 -44.56 87.01 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.765 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.638 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 44.3 t -67.68 -39.71 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.769 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 49.7 mtmt -68.28 -39.02 82.27 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 122.06 -0.4 . . . . 0.0 111.05 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.487 ' CG ' HD11 ' B' ' 65' ' ' LEU . 67.8 t60 -64.95 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 15.8 tp -62.88 -41.89 99.57 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.957 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -67.06 -40.96 87.2 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -62.14 -47.74 83.21 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.634 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.78 -42.16 95.29 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.305 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.35 -12.02 59.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.18 -8.12 19.64 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.655 0.74 . . . . 0.0 111.631 174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.12 36.99 1.03 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.287 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -178.177 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -104.48 110.44 64.28 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -88.99 -165.81 0.22 Allowed 'Trans proline' 0 C--O 1.254 1.294 0 C-N-CA 122.539 2.159 . . . . 0.0 111.276 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -79.84 97.15 6.55 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 t -63.78 -28.66 70.02 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.121 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.13 73.14 10.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 m -77.19 95.2 4.24 Favored 'General case' 0 N--CA 1.42 -1.939 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.902 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.97 -48.02 83.02 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.032 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -88.26 94.32 9.79 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.764 0.792 . . . . 0.0 109.731 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -166.61 -57.04 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HZ2' ' CD ' ' A' ' 43' ' ' GLU . 55.3 tptt -167.94 140.49 3.12 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.09 135.47 36.34 Favored 'General case' 0 C--N 1.266 -3.053 0 C-N-CA 123.027 0.531 . . . . 0.0 109.749 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -87.5 -12.6 45.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.325 0.584 . . . . 0.0 111.373 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HE3' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -106.08 114.5 62.46 Favored Pre-proline 0 N--CA 1.422 -1.845 0 O-C-N 122.008 -0.432 . . . . 0.0 111.54 175.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' HD2' ' HE3' ' A' ' 39' ' ' LYS . 23.8 Cg_endo -66.33 -33.2 39.44 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.01 2.473 . . . . 0.0 110.595 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.402 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 10.3 tt -66.94 -42.64 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.122 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.68 -43.92 83.14 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.99 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CD ' ' HZ2' ' A' ' 36' ' ' LYS . 11.0 pt-20 -74.9 -21.81 59.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.225 -177.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -42.22 54.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.302 -1.369 . . . . 0.0 107.302 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 71.7 mtp180 -61.33 -45.2 95.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.554 176.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.55 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.8 ttp180 -56.55 -54.31 47.38 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.035 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 50' ' ' ILE . 47.3 ttp180 -52.77 -44.55 66.6 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.054 0.846 . . . . 0.0 112.639 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.17 94.42 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -63.73 -33.1 74.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.6 mt -57.98 -55.27 22.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.47 -39.04 92.13 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.412 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 18.2 mm-40 -67.57 -36.53 81.1 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.193 177.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 m -76.13 -36.54 58.77 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tt -67.79 -32.6 73.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.9 t -59.83 -53.96 51.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.988 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -70.45 -32.22 69.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.173 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 84' ' ' THR . 2.0 tm? -54.07 -59.54 4.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.186 1.394 . . . . 0.0 108.229 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -38.46 76.99 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.764 175.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.6 m -62.76 -53.6 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.069 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -28.9 66.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -66.59 -48.0 81.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.241 176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -73.72 -20.62 60.47 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.231 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -82.46 -37.8 24.86 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 122.62 0.368 . . . . 0.0 111.938 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.49 -44.09 15.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.129 0.49 . . . . 0.0 110.353 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 87' ' ' HIS . 6.6 mp -82.66 -31.04 28.91 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.57 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 35.7 mtmt 47.86 67.78 0.77 Allowed 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 122.541 1.162 . . . . 0.0 112.251 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.3 -76.99 0.08 Allowed 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.997 -1.91 . . . . 0.0 109.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -176.32 152.16 1.08 Allowed 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.5 t -82.49 -24.87 33.97 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.224 0.535 . . . . 0.0 109.949 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -72.43 -45.6 58.89 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.272 0.558 . . . . 0.0 110.562 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.09 -11.21 57.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.064 -177.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -57.18 -43.08 82.29 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.617 0.767 . . . . 0.0 109.95 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -78.84 14.09 1.48 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.42 12.33 6.45 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-O 122.229 1.014 . . . . 0.0 109.478 173.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -81.02 111.53 17.58 Favored 'General case' 0 N--CA 1.417 -2.095 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.32 172.028 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB2' ' OD2' ' A' ' 79' ' ' ASP . 19.1 mm-40 -77.8 163.92 25.67 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.6 ttmt -52.59 -43.98 65.65 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -27.59 69.01 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.034 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' OD2' ' HB2' ' A' ' 76' ' ' GLU . 23.7 m-20 -78.54 -43.82 25.81 Favored 'General case' 0 CA--C 1.491 -1.316 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.56 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.209 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.457 ' O ' HG21 ' A' ' 85' ' ' VAL . 7.0 mp -57.43 -52.97 63.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 5.6 pt-20 -67.21 -27.13 67.0 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.819 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.6 tpp -69.62 -36.55 76.25 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.391 0.615 . . . . 0.0 109.706 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.451 HG21 ' CD2' ' A' ' 57' ' ' LEU . 4.0 m -68.79 -37.54 79.36 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.675 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 81' ' ' LEU . 96.8 t -63.55 -46.19 95.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.197 175.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 46.9 mttm -62.88 -40.93 99.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.145 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' CG ' HD12 ' A' ' 65' ' ' LEU . 11.5 t-160 -60.68 -33.3 72.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.651 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.477 HD21 HH11 ' A' ' 89' ' ' ARG . 4.3 tt -65.47 -44.4 87.31 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.477 HH11 HD21 ' A' ' 88' ' ' LEU . 21.8 mmm180 -66.26 -47.09 74.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.09 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.35 -45.91 87.28 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.248 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -69.2 -41.11 77.54 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.701 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -62.27 -28.18 69.53 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.31 9.7 41.56 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.8 0.809 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.4 7.6 45.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.431 HE22 HD23 ' B' ' 91' ' ' LEU . 24.7 mt-30 . . . . . 0 N--CA 1.425 -1.72 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 CA--C 1.491 -1.306 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 67.6 mttm -68.42 117.09 46.57 Favored Pre-proline 0 C--N 1.312 -1.041 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 27' ' ' LYS . 5.7 Cg_exo -73.02 124.79 9.85 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.443 2.096 . . . . 0.0 113.04 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.93 113.01 22.35 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 37.7 p 48.29 81.42 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.78 1.232 . . . . 0.0 114.213 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.44 81.12 1.86 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.293 0.568 . . . . 0.0 110.757 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -91.45 -20.3 21.91 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.022 0.915 . . . . 0.0 109.881 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -141.08 166.16 25.55 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -75.71 65.81 1.93 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.947 0.879 . . . . 0.0 111.573 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -110.96 88.23 2.73 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -158.54 126.4 5.15 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m 60.89 52.61 4.13 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 82.78 3.93 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.103 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -106.46 124.14 36.64 Favored Pre-proline 0 C--N 1.282 -2.327 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.307 170.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 18.3 Cg_endo -55.92 -40.25 86.22 Favored 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 123.084 2.523 . . . . 0.0 112.023 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -74.86 -44.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.131 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 91.9 mmm -69.11 -40.03 78.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 111.315 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.7 pt-20 -78.31 -19.89 52.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.293 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.25 -39.76 86.16 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 76.6 mtp180 -66.48 -42.67 87.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.674 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.412 ' O ' HG13 ' B' ' 50' ' ' ILE . 54.2 ttp180 -58.43 -51.24 70.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.678 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.528 ' HA ' HD12 ' B' ' 50' ' ' ILE . 40.7 ttt180 -56.38 -37.89 70.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.831 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.65 -46.26 89.56 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 4.9 mpt_? -64.94 -32.65 74.47 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.349 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' B' ' 47' ' ' ARG . 81.9 mt -58.94 -52.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.28 -46.23 91.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.466 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 44.6 mm-40 -64.8 -34.86 79.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.046 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 40.0 m -77.14 -32.26 56.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.934 -0.479 . . . . 0.0 111.195 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -75.56 -35.41 60.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.534 0.683 . . . . 0.0 109.44 -178.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 p -71.27 -42.0 69.33 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.885 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.86 -33.23 75.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 7.8 tt -58.62 -56.24 24.73 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.435 1.094 . . . . 0.0 109.115 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.508 ' HE3' ' NE2' ' B' ' 72' ' ' HIS . 37.1 ttpt -52.09 -42.67 63.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.079 0.952 . . . . 0.0 110.541 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -63.44 -55.57 23.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.604 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -30.06 68.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 22.2 mm -64.73 -52.23 57.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.36 -19.64 65.86 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.72 -0.612 . . . . 0.0 111.92 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -82.51 -34.57 27.9 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.133 0.492 . . . . 0.0 111.339 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.22 -37.59 23.38 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.552 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.0 mp -94.3 -33.34 13.26 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.653 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt 49.82 67.94 0.82 Allowed 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 122.512 1.149 . . . . 0.0 112.638 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.63 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.3 mttm -82.75 -78.85 0.2 Allowed 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.372 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 10.7 m-20 -152.92 142.98 22.31 Favored 'General case' 0 CA--C 1.492 -1.254 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.8 p -86.9 -16.24 36.56 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.004 0.43 . . . . 0.0 111.583 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -79.34 -32.55 43.3 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.73 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 15.3 ptp180 -74.99 -37.03 61.96 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.508 ' NE2' ' HE3' ' B' ' 58' ' ' LYS . 3.6 t-160 -48.76 126.65 12.39 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.547 1.139 . . . . 0.0 109.83 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . 0.349 53.9 m 86.23 -27.55 0.08 Allowed 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.541 1.536 . . . . 0.0 113.739 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -90.27 -5.0 56.81 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.829 1.776 . . . . 0.0 106.88 171.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.4 123.04 20.19 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.21 155.21 28.72 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.503 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.448 ' HD2' HD12 ' A' ' 50' ' ' ILE . 34.2 ttmt -50.92 -43.28 59.92 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 123.828 0.705 . . . . 0.0 111.636 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.21 70.39 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.898 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.53 -52.08 9.01 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 60.9 mt -52.83 -50.98 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.901 -1.5 . . . . 0.0 110.657 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.542 ' O ' HG21 ' B' ' 85' ' ' VAL . 6.6 mp -54.78 -53.07 59.98 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.211 0.319 . . . . 0.0 111.495 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.706 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -61.17 -37.33 82.51 Favored 'General case' 0 C--O 1.205 -1.252 0 O-C-N 123.368 0.417 . . . . 0.0 110.997 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.63 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 30.7 tpp -64.26 -38.67 91.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.553 0.692 . . . . 0.0 109.162 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.408 ' OG1' HD22 ' B' ' 57' ' ' LEU . 8.4 m -71.19 -41.86 69.77 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.008 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 60.9 t -59.65 -54.89 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.706 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.5 mtmt -56.1 -42.32 76.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.582 0.753 . . . . 0.0 111.531 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.552 ' CG ' HD11 ' B' ' 65' ' ' LEU . 82.0 t60 -68.22 -32.18 72.2 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.8 pp -74.1 -26.93 60.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.56 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 13.0 mmm180 -67.44 -46.84 71.9 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -54.43 -53.76 49.86 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.825 0.703 . . . . 0.0 109.689 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.431 HD23 HE22 ' A' ' 95' ' ' GLN . 95.6 mt -63.94 -17.42 63.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.509 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -82.16 -37.86 25.53 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.93 -17.32 10.43 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 117.868 -1.533 . . . . 0.0 114.719 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.63 -1.23 20.71 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.67 0.748 . . . . 0.0 112.576 -173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.286 -2.162 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.424 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mtm . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 56.32 93.05 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 112.464 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -71.78 48.08 1.03 Allowed 'Trans proline' 0 CA--C 1.553 1.464 0 C-N-CA 123.851 3.034 . . . . 0.0 114.393 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 5.3 ttpm? -74.53 -55.08 6.32 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 175.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m -107.66 100.32 9.73 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.66 -25.94 0.56 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -123.71 -9.0 7.88 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.36 0.6 . . . . 0.0 110.45 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -58.94 -56.5 21.39 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 124.275 1.03 . . . . 0.0 109.382 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -156.65 117.18 3.64 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.457 -1.247 . . . . 0.0 107.739 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.7 70.55 4.14 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? 177.68 117.0 0.03 OUTLIER 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.492 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.8 t 62.06 40.29 12.22 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 122.08 0.943 . . . . 0.0 109.161 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 m -77.93 36.7 0.23 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.718 1.207 . . . . 0.0 111.985 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HE3' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -104.62 139.42 20.08 Favored Pre-proline 0 C--N 1.304 -1.382 0 C-N-CA 123.306 0.643 . . . . 0.0 109.363 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HD2' ' HE3' ' A' ' 39' ' ' LYS . 18.5 Cg_endo -62.57 -33.67 77.42 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.619 2.213 . . . . 0.0 111.116 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.2 tt -70.99 -42.49 76.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.204 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.57 -41.52 84.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.22 -29.49 67.45 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.53 -41.08 76.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 82.5 mtp180 -62.17 -48.05 81.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.406 177.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 50' ' ' ILE . 20.5 ttm180 -59.23 -49.09 79.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.09 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.5 ttm180 -65.13 -35.02 79.8 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 123.942 0.897 . . . . 0.0 111.986 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.84 91.37 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -63.71 -35.55 80.93 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 47' ' ' ARG . 95.1 mt -58.07 -57.13 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 122.229 0.211 . . . . 0.0 110.437 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -60.89 -43.08 98.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.029 0.443 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 27.5 mm-40 -66.9 -34.17 77.2 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -76.41 -40.07 51.81 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.08 -43.13 96.37 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -59.72 -53.04 62.67 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.45 -29.27 67.87 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.108 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.13 -55.65 30.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.423 0.689 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -38.98 90.29 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.718 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -62.12 -58.32 8.23 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.494 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.87 -36.99 82.89 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -63.81 -55.79 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.8 OUTLIER -60.74 -39.46 88.75 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.662 -175.44 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.26 -24.83 59.34 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.15 -42.8 16.92 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.181 0.991 . . . . 0.0 109.713 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.88 -33.69 14.82 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.84 -171.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt 57.72 73.77 0.45 Allowed 'General case' 0 CA--C 1.499 -1.003 0 CA-C-O 122.817 1.294 . . . . 0.0 110.377 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.67 -60.01 2.71 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 112.03 -2.35 . . . . 0.0 110.659 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 171.58 153.83 0.07 Allowed 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -86.31 -24.15 26.01 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.993 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -73.61 -42.67 61.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' O ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -77.17 -10.97 59.75 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.305 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.551 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 13.6 t-160 -72.91 -25.49 61.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -96.9 16.2 20.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.75 26.94 4.67 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.375 1.083 . . . . 0.0 108.435 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 71' ' ' ARG . 1.9 mm? -84.59 127.98 34.35 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.302 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -106.36 154.88 20.15 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 104.759 -2.312 . . . . 0.0 104.759 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.593 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.4 ttmt -52.55 -47.01 67.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 118.97 0.805 . . . . 0.0 112.7 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.53 72.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.446 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -74.76 -32.74 62.16 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.125 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.38 -49.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.725 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 64.9 mt -60.32 -53.03 62.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.556 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.677 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.1 tt0 -61.46 -34.57 75.66 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.785 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 40.2 ttp -62.09 -47.4 84.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.0 m -61.79 -37.92 86.16 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.311 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 47.2 t -70.41 -47.74 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.708 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -63.73 -40.32 96.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.724 0.773 . . . . 0.0 110.108 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -72.41 -25.21 61.4 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.412 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.552 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.8 tp -61.54 -40.35 94.36 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.72 -42.34 91.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.83 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.42 -50.59 73.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.737 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.38 -25.11 64.9 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -80.67 -27.85 36.97 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -3.33 54.59 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.89 49.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.427 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.555 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 151.04 32.94 Favored Pre-proline 0 C--N 1.297 -1.681 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 173.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.69 127.22 24.42 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.773 1.648 . . . . 0.0 109.222 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -104.58 8.09 35.28 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 122.217 1.008 . . . . 0.0 109.877 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m -147.64 119.01 7.84 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.93 107.72 0.66 Allowed 'General case' 0 C--O 1.246 0.898 0 O-C-N 124.101 0.876 . . . . 0.0 111.534 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 38.72 1.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.925 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -77.79 -72.6 0.35 Allowed 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -151.78 18.38 0.7 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.48 0.657 . . . . 0.0 109.643 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 66.06 12.71 8.66 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.896 1.331 . . . . 0.0 110.618 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -114.08 83.44 1.87 Allowed 'General case' 0 N--CA 1.408 -2.557 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -86.36 -31.0 21.75 Favored 'General case' 0 C--N 1.269 -2.929 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.915 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 25.4 m 60.37 26.67 16.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.637 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.7 mmpt? -96.88 122.1 57.58 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 122.058 -0.401 . . . . 0.0 112.002 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -65.78 -33.15 44.79 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.987 2.458 . . . . 0.0 110.862 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 9.5 tt -68.29 -44.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.438 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 92.8 mmm -68.27 -37.67 80.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.689 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.4 -34.12 72.17 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.826 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.08 -40.93 67.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.998 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 81.9 mtp180 -59.18 -49.6 77.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.898 0.749 . . . . 0.0 109.941 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.493 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.5 ttm180 -68.52 -46.69 68.9 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.773 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' B' ' 50' ' ' ILE . 41.2 ttm180 -53.43 -51.39 62.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.664 0.786 . . . . 0.0 112.061 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -54.68 -50.24 68.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.45 -37.89 76.39 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.928 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.6 mt -58.54 -51.8 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.49 -40.63 96.04 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 16.4 mm-40 -69.68 -39.61 76.88 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.343 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.8 p -73.52 -37.75 65.53 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 121.914 -0.491 . . . . 0.0 109.867 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.12 -38.33 90.77 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -61.58 -55.12 34.27 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.751 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.58 -32.29 73.8 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.054 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.76 -58.47 7.95 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.619 0.768 . . . . 0.0 109.572 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -53.02 -44.47 67.35 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.205 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 71.7 m -69.52 -50.01 49.15 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.761 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.57 -33.21 68.89 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.665 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mm -66.85 -48.55 79.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.537 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.458 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.5 OUTLIER -62.36 -34.39 76.59 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.22 -25.84 52.09 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.86 -29.47 40.07 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.517 HD13 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -100.96 -29.6 12.11 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.688 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt 58.24 65.66 1.24 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-O 122.72 1.248 . . . . 0.0 112.182 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.573 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 67.2 mttm -82.83 -70.52 0.55 Allowed 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.473 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -174.72 140.38 0.58 Allowed 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -80.12 -21.17 43.5 Favored 'General case' 0 N--CA 1.402 -2.851 0 O-C-N 123.721 0.638 . . . . 0.0 110.755 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 7.8 m -64.63 -49.78 69.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.773 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -20.14 61.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-O 121.332 0.587 . . . . 0.0 110.65 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.458 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.0 t-160 -76.78 -19.75 57.23 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.983 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.8 m -85.48 -10.12 56.52 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.675 0.75 . . . . 0.0 111.954 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -150.22 65.97 0.96 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 tp -107.94 131.4 54.58 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.905 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' HE2' ' B' ' 74' ' ' LYS . 81.2 mm-40 -83.44 150.5 26.0 Favored 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.165 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -56.73 -36.34 69.62 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 124.108 0.88 . . . . 0.0 112.284 -175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.68 71.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.421 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -78.69 -47.55 16.73 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 73.6 mt -54.64 -53.47 31.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.385 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.537 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -57.94 -51.12 70.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.788 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.3 tt0 -62.55 -37.29 85.55 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.75 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.573 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 42.7 tpp -64.59 -40.47 95.58 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.493 0.663 . . . . 0.0 109.768 -173.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 18.7 m -65.79 -42.4 90.81 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.214 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 81' ' ' LEU . 58.5 t -66.94 -49.31 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.265 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.673 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.4 mtmt -60.29 -41.97 94.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.517 ' CG ' HD13 ' B' ' 65' ' ' LEU . 18.9 t-80 -69.12 -27.51 65.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.062 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.66 -35.95 77.91 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 19.9 mmm180 -73.07 -35.71 66.73 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.93 -41.73 92.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.87 -44.05 77.99 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.56 -28.15 68.95 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -7.33 59.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.617 . . . . 0.0 110.881 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.61 5.37 24.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.67 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 C--N 1.285 -2.214 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.775 -176.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -123.23 99.8 39.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.124 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -91.9 9.87 2.69 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 122.305 2.003 . . . . 0.0 109.801 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -129.03 -178.97 4.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m 64.48 42.75 4.86 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.789 1.28 . . . . 0.0 108.267 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.67 -23.07 4.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.448 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 34' ' ' HIS . 24.2 m -68.05 113.6 5.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -177.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 73.9 -12.31 0.87 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.145 1.378 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' H ' ' C ' ' A' ' 32' ' ' SER . 11.2 t-160 -79.76 -21.09 44.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 176.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -72.29 102.19 3.05 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -148.34 101.69 3.27 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.869 0.843 . . . . 0.0 109.061 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.5 m -93.27 96.51 10.02 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.166 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -149.8 138.17 20.63 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -106.62 135.17 19.55 Favored Pre-proline 0 C--N 1.294 -1.845 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -65.1 -35.76 40.67 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 122.53 2.153 . . . . 0.0 110.506 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.4 tt -67.93 -43.04 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.37 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.14 -38.96 75.63 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.721 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.49 -31.23 71.84 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.641 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -69.44 -44.31 71.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 62.2 mtp180 -66.2 -45.03 82.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.507 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.545 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.0 ttm180 -61.42 -45.94 92.22 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.858 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.8 ttp180 -61.46 -38.89 88.88 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 123.533 0.521 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.44 -50.46 73.62 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.72 -39.9 86.19 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 123.386 0.429 . . . . 0.0 109.962 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.0 mt -57.35 -55.67 19.54 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 C-N-CA 123.137 0.575 . . . . 0.0 110.246 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.47 -39.98 94.83 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.649 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 45.0 mt-10 -59.15 -45.55 90.7 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 120.955 0.407 . . . . 0.0 111.037 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 -40.9 66.46 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.51 -37.96 88.31 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.373 0.669 . . . . 0.0 109.949 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 t -63.5 -52.39 61.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.22 -32.43 72.62 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.33 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.94 -56.86 15.56 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.087 0.955 . . . . 0.0 110.606 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -63.72 -31.57 72.79 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.913 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.7 m -65.81 -54.21 29.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.04 -38.62 89.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.681 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 29.9 mm -63.2 -51.03 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.2 -32.45 74.04 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 51.3 m-20 -77.76 -25.85 49.44 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.83 -18.57 37.16 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.837 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 21.2 mt -101.38 -34.86 9.43 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.276 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.638 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.7 mmpt? 60.52 39.07 18.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 124.245 0.965 . . . . 0.0 109.889 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE2' ' CD1' ' A' ' 65' ' ' LEU . 65.0 mttm -64.45 -74.98 0.09 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.392 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -168.09 143.35 3.68 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 36.2 t -86.86 -17.06 34.25 Favored 'General case' 0 N--CA 1.413 -2.279 0 O-C-N 123.353 0.408 . . . . 0.0 110.747 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 m -70.32 -48.01 58.48 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -75.48 -12.75 60.3 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.17 -178.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 16.7 t-80 -60.99 -37.41 82.37 Favored 'General case' 0 C--O 1.223 -0.326 0 O-C-N 123.525 0.515 . . . . 0.0 109.923 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -82.85 -1.2 51.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.249 0.547 . . . . 0.0 111.664 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.33 13.55 17.83 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 109.318 -179.153 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.561 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -81.01 111.62 17.66 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.989 175.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -83.47 164.01 20.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 81' ' ' LEU . 32.5 ttmt -50.06 -53.07 29.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.91 67.83 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.505 0.669 . . . . 0.0 111.921 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.26 -38.57 35.16 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 65.8 mt -70.27 -52.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.143 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 85' ' ' VAL . 8.2 mp -50.99 -52.92 37.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.957 0.785 . . . . 0.0 111.861 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.673 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 33.5 tt0 -67.08 -36.58 82.31 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.106 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 56.2 ttm -63.38 -37.5 87.5 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.36 0.6 . . . . 0.0 109.607 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 m -65.33 -47.96 74.7 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.336 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.528 ' O ' ' HG2' ' A' ' 89' ' ' ARG . 46.1 t -63.04 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.673 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.3 mtmt -63.8 -34.11 77.17 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.603 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.443 ' ND1' HD22 ' A' ' 65' ' ' LEU . 42.0 t60 -73.26 -27.2 61.44 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.983 -0.448 . . . . 0.0 110.538 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.42 -36.17 76.44 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 15.1 mmm-85 -66.66 -44.87 80.71 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.029 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.437 ' HA ' ' HE ' ' A' ' 93' ' ' ARG . 96.4 m-20 -55.99 -49.39 73.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.052 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.96 -43.75 98.19 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 123.865 0.728 . . . . 0.0 110.584 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -59.8 -30.13 68.7 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 90' ' ' ASN . 6.5 ppt_? -106.31 5.51 29.73 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.757 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.67 -10.95 59.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.841 0.829 . . . . 0.0 109.213 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 N--CA 1.421 -1.907 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.723 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 CA--C 1.495 -1.148 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 63.77 85.42 0.16 Allowed Pre-proline 0 C--O 1.241 0.631 0 O-C-N 123.948 0.78 . . . . 0.0 110.464 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.63 152.84 70.07 Favored 'Trans proline' 0 C--O 1.251 1.148 0 C-N-CA 122.985 2.457 . . . . 0.0 111.946 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 69.2 10.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.781 0.801 . . . . 0.0 111.67 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.4 m -156.32 88.43 1.08 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -177.09 -48.28 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.943 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 6.2 m -79.89 97.92 6.91 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.217 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.88 141.23 36.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -69.53 -54.59 13.4 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 120.907 0.385 . . . . 0.0 110.565 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -89.3 84.05 6.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -161.61 136.17 7.08 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -115.41 112.75 22.79 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.558 0.694 . . . . 0.0 111.615 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -164.86 173.46 11.68 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.485 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -90.24 123.1 66.61 Favored Pre-proline 0 C--N 1.282 -2.364 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.62 -38.32 90.85 Favored 'Trans proline' 0 C--O 1.23 0.11 0 C-N-CA 123.286 2.657 . . . . 0.0 112.245 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tt -74.83 -43.69 46.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.359 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 96.1 mmm -66.2 -42.47 88.75 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -70.11 -28.15 65.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.121 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -67.15 -46.33 74.37 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.514 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 79.5 mtp180 -61.74 -50.19 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.549 178.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' B' ' 50' ' ' ILE . 31.8 ttm180 -56.51 -53.35 58.53 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.425 ' HA ' HD12 ' B' ' 50' ' ' ILE . 31.4 ttp180 -50.91 -46.34 60.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.936 0.895 . . . . 0.0 111.331 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -58.77 -54.07 51.29 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.221 0.608 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.514 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 12.1 mpt_? -59.7 -33.31 71.43 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.591 0.557 . . . . 0.0 112.081 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.5 mt -59.64 -51.16 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.044 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -66.15 -40.61 90.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.802 0.334 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 41.5 mt-10 -60.81 -43.42 98.21 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.679 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 21.8 p -76.95 -32.55 57.38 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.094 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.24 -38.65 68.88 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.564 0.697 . . . . 0.0 109.287 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 p -66.55 -45.29 79.85 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.622 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.1 -34.31 74.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.039 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.64 -58.19 8.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.359 1.064 . . . . 0.0 111.066 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 56.6 pttt -61.6 -34.9 76.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.2 m -63.55 -53.83 45.71 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.421 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.81 -31.83 73.24 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.88 -50.92 49.95 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 CA-C-O 121.435 0.636 . . . . 0.0 110.671 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -33.06 74.47 Favored 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' B' ' 59' ' ' THR . 4.0 t70 -77.66 -27.95 51.1 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.978 0.511 . . . . 0.0 111.875 -176.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -36.35 58.53 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.784 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.0 mp -101.98 -30.08 11.42 Favored 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 118.576 -1.249 . . . . 0.0 111.802 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt 58.22 62.95 1.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.95 0.881 . . . . 0.0 111.796 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.587 ' HE2' ' SD ' ' B' ' 83' ' ' MET . 35.3 mttp -66.86 -79.12 0.05 Allowed 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 113.563 -1.653 . . . . 0.0 111.408 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.475 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 13.2 t70 -174.84 146.25 0.91 Allowed 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -88.08 -16.05 34.58 Favored 'General case' 0 N--CA 1.409 -2.491 0 C-N-CA 119.544 -0.862 . . . . 0.0 112.331 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' SER . . . . . 0.475 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 32.7 t -71.78 -44.55 63.81 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 9.2 ptp180 -65.3 -36.88 85.42 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 25.5 t60 -57.99 -28.64 64.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.069 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -83.2 -2.93 56.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.764 0.792 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -120.54 11.78 11.4 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.614 1.197 . . . . 0.0 108.352 178.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 33.7 mt -84.87 115.21 22.64 Favored 'General case' 0 N--CA 1.408 -2.561 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.655 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.498 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 89.6 mt-10 -92.11 166.52 12.61 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.893 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -49.49 -49.88 43.86 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.533 0.733 . . . . 0.0 112.94 -176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.83 70.02 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.182 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.498 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 6.7 m-20 -78.62 -47.37 17.24 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.948 0.88 . . . . 0.0 108.788 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 86.6 mt -57.44 -49.47 80.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.859 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.477 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.4 mp -51.31 -52.82 41.86 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.414 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.686 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 33.0 tt0 -67.92 -33.26 74.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.888 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.587 ' SD ' ' HE2' ' B' ' 67' ' ' LYS . 50.5 tpp -63.4 -36.9 85.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.779 0.799 . . . . 0.0 109.229 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.3 m -65.62 -47.39 75.79 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.031 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.477 HG23 ' O ' ' B' ' 81' ' ' LEU . 39.6 t -64.76 -40.51 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.341 0.591 . . . . 0.0 110.528 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.686 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.6 mtmt -67.2 -35.25 79.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.057 0.456 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.579 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.9 t-160 -72.29 -27.96 62.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.89 97.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -61.06 -44.58 97.17 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.449 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 92.2 m-20 -56.08 -45.99 79.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.75 -43.34 72.44 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.693 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.52 -12.1 40.99 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -101.2 -10.21 20.59 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.646 0.736 . . . . 0.0 110.395 -176.308 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.33 -0.94 40.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.435 -1.182 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 CA--C 1.495 -1.163 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -130.31 98.49 20.67 Favored Pre-proline 0 N--CA 1.435 -1.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.45 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.97 147.57 11.88 Favored 'Trans proline' 0 N--CA 1.442 -1.539 0 C-N-CA 122.232 1.954 . . . . 0.0 111.658 175.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -132.72 -51.35 0.91 Allowed 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.127 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -113.99 39.34 2.74 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.532 1.158 . . . . 0.0 108.626 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.93 89.98 7.24 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-O 121.785 0.802 . . . . 0.0 109.123 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 p -75.13 -15.92 60.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.066 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 70.16 -65.93 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.264 1.426 . . . . 0.0 113.317 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -70.36 -37.84 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -92.24 136.55 33.1 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.641 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -158.62 -163.31 1.24 Allowed 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -173.015 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.5 m 71.87 -32.84 0.25 Allowed 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -86.26 26.1 1.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 123.332 0.653 . . . . 0.0 111.234 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 39' ' ' LYS . 30.7 mmtm -79.58 130.95 66.2 Favored Pre-proline 0 N--CA 1.4 -2.955 0 C-N-CA 124.049 0.939 . . . . 0.0 113.181 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -61.7 -39.66 51.71 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.179 2.586 . . . . 0.0 110.328 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 tt -67.25 -39.21 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.551 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.91 -38.34 61.86 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.171 -175.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.64 -32.43 67.93 Favored 'General case' 0 C--O 1.209 -1.031 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.708 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.33 -44.26 88.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.105 0.479 . . . . 0.0 110.644 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.23 -37.01 85.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.505 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.9 ttm180 -66.07 -46.51 77.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.815 175.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HA ' HD12 ' A' ' 50' ' ' ILE . 32.8 ttp180 -61.44 -39.67 91.69 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 124.473 1.109 . . . . 0.0 111.712 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.89 -47.19 83.53 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -60.6 -42.82 97.55 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.858 0.723 . . . . 0.0 110.965 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 47' ' ' ARG . 93.3 mt -54.46 -52.6 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 123.199 0.6 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.49 -45.19 84.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.991 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 13.3 mm-40 -63.91 -35.22 79.93 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.385 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -75.18 -48.47 23.41 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.8 tt -62.28 -36.44 82.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.737 0.779 . . . . 0.0 110.241 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -68.59 -42.52 78.08 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.062 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.67 -30.89 63.18 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.237 -0.914 . . . . 0.0 109.708 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.568 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.5 tm? -51.35 -59.37 4.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.26 1.824 . . . . 0.0 109.278 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.892 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -66.04 -54.44 25.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.758 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.88 -32.69 72.53 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.527 HG23 ' ND1' ' A' ' 87' ' ' HIS . 11.7 mm -62.41 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.011 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.453 HD21 ' ND1' ' A' ' 72' ' ' HIS . 7.5 tp -71.21 -31.84 68.1 Favored 'General case' 0 C--O 1.183 -2.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.382 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 -27.28 61.18 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.297 0.57 . . . . 0.0 111.593 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.94 59.12 Favored 'General case' 0 N--CA 1.423 -1.817 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.97 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD12 ' ND1' ' A' ' 87' ' ' HIS . 7.3 mp -104.64 -30.63 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt 56.38 58.93 3.9 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.048 0.939 . . . . 0.0 113.094 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.57 -72.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.566 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -162.22 144.87 11.37 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 124.182 0.993 . . . . 0.0 109.545 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 t -78.45 -32.73 48.63 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -60.31 -47.23 86.92 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.151 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.452 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.64 -16.55 59.52 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.322 -177.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.453 ' ND1' HD21 ' A' ' 62' ' ' LEU . 47.7 t60 -71.97 -30.93 65.78 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -91.59 10.5 27.78 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.403 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -131.02 24.68 4.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.01 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 38.7 mt -82.38 115.68 21.53 Favored 'General case' 0 N--CA 1.415 -2.19 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.979 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.12 151.2 31.5 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 1.7 ttmp? -54.52 -41.7 69.97 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.313 0.578 . . . . 0.0 111.466 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -26.28 65.96 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.9 -46.71 34.16 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.5 mt -58.79 -51.37 72.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.6 mp -55.61 -53.03 61.53 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.9 tt0 -62.99 -33.81 76.21 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.634 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.23 -39.86 82.2 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.501 HG23 ' CD2' ' A' ' 57' ' ' LEU . 12.5 m -67.64 -45.69 74.59 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.676 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 61.9 t -64.4 -41.46 92.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.588 0.709 . . . . 0.0 110.57 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.74 -39.26 87.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.211 0.529 . . . . 0.0 111.013 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.527 ' ND1' HG23 ' A' ' 61' ' ' ILE . 34.7 m170 -67.17 -26.92 66.88 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.747 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.9 tp -58.36 -48.26 81.15 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 5.5 mpt_? -57.53 -48.71 78.55 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.865 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.415 ' HA ' ' NE ' ' A' ' 93' ' ' ARG . 84.4 m-20 -54.87 -51.24 66.58 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.12 -17.22 59.69 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -74.92 -38.33 61.83 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.293 0.568 . . . . 0.0 109.875 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.6 ppt_? -100.79 17.36 22.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.055 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.54 -10.29 59.74 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.508 0.67 . . . . 0.0 109.907 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 95' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.414 -2.271 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.125 -178.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -119.41 102.27 48.22 Favored Pre-proline 0 N--CA 1.436 -1.13 0 CA-C-O 121.301 0.572 . . . . 0.0 110.851 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -68.99 125.04 12.04 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 121.827 1.685 . . . . 0.0 108.691 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -43.76 72.51 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.521 -179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.9 m 54.65 31.74 15.82 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-O 122.367 1.079 . . . . 0.0 110.837 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.7 87.83 2.7 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.684 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -151.56 120.47 6.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' B' ' 36' ' ' LYS . 8.9 pt-20 -123.92 110.38 14.75 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.014 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -97.15 -34.92 10.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.698 0.761 . . . . 0.0 109.189 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -133.8 97.36 3.88 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.418 ' HB3' ' HB2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -99.39 -1.54 38.45 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.693 1.235 . . . . 0.0 110.309 -179.464 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -80.52 6.18 13.17 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 113.285 -1.779 . . . . 0.0 109.826 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -67.95 -21.53 65.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.128 0.966 . . . . 0.0 108.432 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.465 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.4 mmpt? -99.23 125.47 41.33 Favored Pre-proline 0 N--CA 1.428 -1.57 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.357 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.69 -34.18 51.96 Favored 'Trans proline' 0 C--N 1.332 -0.3 0 C-N-CA 122.987 2.458 . . . . 0.0 110.707 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tt -67.0 -42.44 88.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.538 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 25.5 mmt -68.49 -39.45 81.32 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 12.3 pt-20 -70.34 -31.88 69.36 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.27 -40.56 70.85 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.547 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -60.03 -41.63 92.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.832 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.6 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.2 ttm180 -61.32 -57.76 11.0 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.588 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' B' ' 43' ' ' GLU 0.364 15.2 ptt180 -66.31 -32.59 74.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -176.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -60.48 -46.42 90.17 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -31.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.6 HG13 ' O ' ' B' ' 46' ' ' ARG . 87.3 mt -58.87 -54.78 29.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -60.52 -47.79 84.62 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.083 0.153 . . . . 0.0 110.988 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 14.5 mm-40 -60.38 -40.8 92.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.912 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -76.35 -40.36 51.46 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.654 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -61.41 -39.25 90.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.952 0.901 . . . . 0.0 108.863 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -63.82 -45.78 88.08 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.841 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.27 -28.69 59.9 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.708 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.501 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -54.69 -59.0 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 126.128 1.771 . . . . 0.0 107.353 174.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.41 -47.62 78.63 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.232 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -59.77 -59.87 4.74 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.585 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.63 -30.51 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 33.0 mm -66.04 -52.81 44.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.113 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.73 -22.35 62.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.474 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 12.9 t70 -78.87 -26.32 43.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.402 0.62 . . . . 0.0 111.04 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 -31.71 25.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 20.3 mt -96.09 -38.14 10.31 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 39.9 mtmt 48.44 68.89 0.62 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 112.834 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -75.45 -60.69 2.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.12 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.99 145.96 1.92 Allowed 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.2 m -87.6 -15.67 36.69 Favored 'General case' 0 C--N 1.277 -2.564 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.273 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -45.38 62.38 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -6.83 59.35 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.64 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.28 -36.12 68.25 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 36.9 m -84.1 10.58 9.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.121 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.494 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -138.81 76.58 1.58 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.702 1.239 . . . . 0.0 109.864 175.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.406 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 1.2 mm? -128.16 126.21 40.62 Favored 'General case' 0 N--CA 1.405 -2.707 0 CA-C-N 113.208 -1.814 . . . . 0.0 108.506 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -93.0 152.32 19.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.453 ' O ' HD11 ' B' ' 81' ' ' LEU . 33.0 ttmt -48.05 -48.15 33.34 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.54 71.07 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.638 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.21 -39.15 33.98 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.732 -175.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.406 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.9 mt -64.09 -49.48 81.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.341 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.518 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.6 mp -53.37 -48.94 68.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.836 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -64.89 -39.88 94.23 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.626 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 45.3 ttm -66.33 -31.65 72.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.57 . . . . 0.0 109.571 -174.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.459 HG21 ' CD2' ' B' ' 57' ' ' LEU . 7.2 m -70.1 -48.48 57.47 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.841 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.626 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 46.7 t -63.41 -39.23 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.645 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.2 mtmt -68.91 -36.66 78.29 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 121.677 -0.64 . . . . 0.0 110.955 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.478 ' CD2' HD21 ' B' ' 65' ' ' LEU . 21.1 t-160 -69.5 -27.82 65.52 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.8 tp -59.82 -45.89 90.95 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.321 175.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 5.3 mpt_? -58.64 -48.42 81.09 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -54.81 -50.31 68.86 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 123.871 0.732 . . . . 0.0 111.999 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.18 -43.33 87.2 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.072 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.04 -14.32 53.45 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 8.3 ppt_? -113.42 7.75 17.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.178 0.513 . . . . 0.0 111.146 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.43 -11.06 38.77 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.829 0.823 . . . . 0.0 108.997 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.421 -1.878 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.9 -174.304 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -107.0 142.42 24.98 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.51 29.97 0.4 Allowed 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 123.679 2.92 . . . . 0.0 114.358 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt 69.75 144.93 0.05 Allowed 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.219 1.008 . . . . 0.0 111.807 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m 70.69 -37.22 0.38 Allowed 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 125.032 1.333 . . . . 0.0 112.505 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 69.04 10.97 8.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.313 1.445 . . . . 0.0 111.92 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.7 m -144.17 128.41 17.75 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.587 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -98.56 14.44 28.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 123.181 1.467 . . . . 0.0 109.205 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -120.97 -176.53 3.28 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 175.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -71.03 -29.41 65.33 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.121 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -164.03 136.83 5.11 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -166.56 173.08 10.11 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -109.93 -48.46 3.2 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.649 ' O ' ' HE3' ' A' ' 39' ' ' LYS 0.26 0.0 OUTLIER -105.82 121.62 45.23 Favored Pre-proline 0 N--CA 1.385 -3.703 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.266 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -85.04 -36.1 0.14 Allowed 'Trans proline' 1 C--N 1.224 -5.996 0 C-N-CA 123.61 2.873 . . . . 0.0 111.395 175.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tt -84.48 -40.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.743 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.8 mmm -67.94 -37.66 81.9 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.979 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HB3' ' HZ1' ' A' ' 39' ' ' LYS . 8.9 pt-20 -76.72 -27.69 55.53 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.285 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? -69.31 -37.47 77.77 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -66.71 -44.38 81.82 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.002 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 50' ' ' ILE . 49.6 ttp180 -55.66 -51.03 68.62 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.541 ' HA ' HD13 ' A' ' 50' ' ' ILE . 71.4 ttt180 -53.26 -40.0 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.826 1.251 . . . . 0.0 112.123 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.41 -53.32 58.12 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 123.586 0.554 . . . . 0.0 110.429 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -67.27 -25.49 66.09 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.685 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 47' ' ' ARG . 82.0 mt -60.37 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -61.9 -42.96 99.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.618 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 52.8 mt-10 -56.85 -39.48 74.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.812 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -77.02 -40.11 47.7 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.108 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -63.21 -40.43 97.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.302 0.641 . . . . 0.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.24 -51.37 66.51 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.434 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -68.26 -31.04 70.23 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.504 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 6.8 tt -53.32 -58.24 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.428 1.091 . . . . 0.0 109.229 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 26.6 ttpp -55.55 -47.12 76.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.597 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.2 m -61.14 -47.48 86.02 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.396 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.77 -37.85 58.87 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 34.5 mm -61.97 -44.96 99.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.147 0.499 . . . . 0.0 109.852 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.613 HD23 ' CG ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -61.47 -36.68 81.1 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.355 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 10.9 t70 -76.18 -25.0 54.78 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.977 0.418 . . . . 0.0 112.069 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.12 -26.15 31.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.428 0.632 . . . . 0.0 110.105 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.548 HD22 ' CD2' ' A' ' 87' ' ' HIS . 18.1 mt -105.12 -39.85 6.07 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.663 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.611 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 41.0 mtmt 44.19 58.82 3.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 124.502 1.121 . . . . 0.0 111.274 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' HD2' ' NE2' ' A' ' 72' ' ' HIS . 93.5 mttt -67.54 -66.32 0.58 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.938 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 71' ' ' ARG . 34.3 t0 -169.85 138.23 1.77 Allowed 'General case' 0 CA--C 1.472 -2.026 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.3 m -78.12 -21.86 49.73 Favored 'General case' 0 C--N 1.262 -3.208 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.945 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -66.15 -54.95 19.19 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.679 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -66.58 -36.58 82.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.287 0.565 . . . . 0.0 110.947 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.613 ' CG ' HD23 ' A' ' 62' ' ' LEU . 80.5 m-70 -77.6 8.58 4.19 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.2 m -105.24 9.02 34.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.867 0.841 . . . . 0.0 109.147 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -135.73 24.69 3.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.685 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD21 ' HD1' ' A' ' 72' ' ' HIS . 1.3 tp -85.22 118.53 24.83 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-O 121.741 0.781 . . . . 0.0 111.225 -175.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -76.17 157.93 32.23 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.211 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -51.92 -46.45 64.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.412 0.625 . . . . 0.0 110.861 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -31.59 67.43 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.18 -42.29 26.43 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.681 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.4 mt -63.47 -47.64 90.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.495 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.1 mp -57.27 -53.04 62.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.634 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 13.9 tt0 -56.19 -40.12 73.47 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.2 ttp -68.05 -34.43 76.44 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.187 0.518 . . . . 0.0 109.763 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.3 m -69.55 -45.09 69.56 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.093 178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 81' ' ' LEU . 38.5 t -67.77 -41.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.682 0.753 . . . . 0.0 110.358 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 62.1 mttt -72.21 -30.12 64.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.548 ' CD2' HD22 ' A' ' 65' ' ' LEU . 12.1 t-160 -69.91 -28.42 65.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.2 tt -59.07 -50.57 73.58 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.513 HH21 ' HG2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.09 -35.05 78.96 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.029 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 89.4 m-20 -63.49 -42.85 98.54 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.188 0.518 . . . . 0.0 110.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.66 -43.22 73.0 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.934 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -66.28 -25.32 66.81 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.67 -2.89 58.83 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.266 0.555 . . . . 0.0 110.688 -178.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.67 38.72 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.758 0.79 . . . . 0.0 110.008 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 C--N 1.303 -1.416 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.158 -174.167 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 CA--C 1.505 -0.771 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -144.17 81.78 11.28 Favored Pre-proline 0 N--CA 1.445 -0.677 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.68 132.2 24.58 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 123.007 2.471 . . . . 0.0 113.313 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.84 29.02 11.21 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.446 1.098 . . . . 0.0 112.428 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m 67.78 -74.09 0.08 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.777 0.831 . . . . 0.0 110.979 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 61.92 124.99 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.957 1.303 . . . . 0.0 111.946 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -107.67 79.13 1.25 Allowed 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.462 -0.774 . . . . 0.0 110.493 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -83.72 -30.47 26.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -79.74 82.6 5.82 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.832 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.39 162.07 10.14 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -118.51 104.63 10.86 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 117.782 -1.567 . . . . 0.0 111.341 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.47 149.85 25.98 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.429 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -77.31 -55.58 5.28 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 121.334 0.588 . . . . 0.0 112.282 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -104.51 118.76 55.82 Favored Pre-proline 0 C--N 1.277 -2.567 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -59.04 -37.32 93.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.167 2.578 . . . . 0.0 110.609 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.2 tt -66.52 -43.24 90.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 92.1 mmm -73.4 -36.45 66.03 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.498 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.8 -33.53 72.49 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -71.65 -42.71 67.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.464 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -58.41 -53.63 56.09 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.436 1.085 . . . . 0.0 109.836 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.525 ' O ' HG13 ' B' ' 50' ' ' ILE . 36.1 ttm180 -57.64 -56.17 25.31 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.665 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -53.61 -49.39 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.887 0.875 . . . . 0.0 111.709 -176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.77 -50.8 72.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.301 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -62.53 -33.12 74.27 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.1 mt -61.52 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -65.85 -39.92 91.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.829 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.4 mm-40 -63.81 -41.22 97.93 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.669 0.606 . . . . 0.0 112.301 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 14.5 p -75.82 -38.49 58.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.333 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.86 -35.28 80.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -64.33 -52.03 60.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.221 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.423 ' HG3' HG13 ' A' ' 85' ' ' VAL . 11.6 pt20 -67.82 -31.77 71.86 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.328 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.13 -58.12 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.062 0.945 . . . . 0.0 109.311 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -50.88 -41.89 58.63 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 125.604 1.562 . . . . 0.0 110.893 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 m -67.44 -56.21 10.53 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.517 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -38.09 81.89 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 29.3 mm -67.16 -50.03 67.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -30.38 69.39 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 119.064 -1.054 . . . . 0.0 108.868 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.61 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 65.3 m-20 -79.67 -24.95 41.45 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.29 27.26 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.649 -0.82 . . . . 0.0 112.296 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 65' ' ' LEU . 4.9 mp -97.27 -24.22 15.78 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.26 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.61 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 10.3 mmpt? 58.0 62.12 2.15 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.5 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.66 -78.25 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.839 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 t0 176.94 150.74 0.16 Allowed 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 m -86.33 -18.57 31.59 Favored 'General case' 0 C--N 1.276 -2.596 0 O-C-N 123.469 0.481 . . . . 0.0 111.5 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -66.67 -52.24 47.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.709 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -32.82 74.62 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 121.337 0.589 . . . . 0.0 110.366 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.0 -15.45 61.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.783 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -66.22 -17.71 64.9 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.765 0.793 . . . . 0.0 111.224 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -142.62 73.6 1.41 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.595 174.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' B' ' 79' ' ' ASP . 4.2 tp -115.87 126.73 54.33 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -78.44 159.99 27.97 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -54.47 -39.74 67.76 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.586 0.708 . . . . 0.0 110.799 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.78 71.85 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.496 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.413 ' CB ' ' HG ' ' B' ' 75' ' ' LEU . 64.8 m-20 -79.09 -44.05 22.88 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.801 0.81 . . . . 0.0 109.017 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -49.06 83.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.507 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.3 mp -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.828 0.346 . . . . 0.0 110.899 176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.7 tt0 -59.86 -38.65 82.73 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.225 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 33.8 tpp -70.59 -27.34 64.03 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.338 0.59 . . . . 0.0 109.914 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.506 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 21.6 m -70.78 -44.02 67.52 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.505 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.599 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 39.1 t -70.56 -39.22 75.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.314 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.3 mttt -69.45 -35.85 76.06 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 122.091 -0.381 . . . . 0.0 111.182 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.419 ' CG ' HD13 ' B' ' 65' ' ' LEU . 73.5 t60 -65.4 -31.87 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.599 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.9 tp -58.29 -47.35 83.92 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.993 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -59.54 -42.29 91.98 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.193 0.308 . . . . 0.0 110.817 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -59.83 -48.78 80.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.413 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.4 -25.91 61.67 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.131 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -73.34 -31.38 63.94 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 120.857 0.361 . . . . 0.0 111.424 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.86 8.1 45.12 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.15 -31.15 72.24 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.696 0.76 . . . . 0.0 109.448 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.407 -2.612 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.418 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -129.55 93.82 34.15 Favored Pre-proline 0 C--N 1.308 -1.205 0 C-N-CA 124.193 0.997 . . . . 0.0 108.524 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.12 117.01 4.17 Favored 'Trans proline' 0 C--O 1.242 0.716 0 C-N-CA 123.071 2.514 . . . . 0.0 112.356 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' HZ2' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -96.01 12.85 29.03 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.689 0.756 . . . . 0.0 109.644 179.139 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -75.44 14.14 0.65 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 125.533 1.533 . . . . 0.0 113.042 -177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.58 41.32 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t 63.16 -172.57 0.16 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.254 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.03 99.34 12.18 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -64.99 -52.43 56.19 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.462 0.649 . . . . 0.0 110.018 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -118.58 115.48 24.64 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.166 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -97.9 80.82 2.78 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.188 0.994 . . . . 0.0 108.442 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 p -103.09 75.08 1.34 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.4 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -147.89 -174.01 4.45 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.7 mmpt? -104.32 117.82 58.32 Favored Pre-proline 0 N--CA 1.421 -1.893 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.696 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.22 -31.9 52.79 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.366 2.71 . . . . 0.0 110.753 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 -42.52 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.58 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.1 -42.31 94.13 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.25 -24.53 60.47 Favored 'General case' 0 C--O 1.214 -0.81 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.645 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -71.9 -44.96 62.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.26 -45.77 92.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.573 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' ILE . 37.2 ttm180 -57.27 -49.79 74.95 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.734 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' HA ' HD13 ' A' ' 50' ' ' ILE . 51.0 ttt180 -55.31 -46.98 76.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.994 0.918 . . . . 0.0 111.194 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.54 85.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -38.71 81.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 122.883 0.473 . . . . 0.0 111.64 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.8 mt -60.03 -52.85 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.544 0.738 . . . . 0.0 109.732 176.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.6 -43.32 99.12 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.606 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.85 -43.23 99.36 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.713 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -73.56 -36.33 65.6 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.542 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.9 tt -68.72 -37.16 79.27 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -66.85 -52.44 43.59 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -62.59 -32.02 72.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.965 0.412 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.69 -58.54 7.88 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 123.992 0.917 . . . . 0.0 110.354 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -28.39 69.63 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -68.91 -53.0 23.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.172 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.28 -38.43 75.06 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 28.7 mm -59.57 -52.61 58.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 121.368 0.604 . . . . 0.0 111.413 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -33.03 75.01 Favored 'General case' 0 C--O 1.204 -1.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.34 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.682 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 15.5 t70 -77.38 -31.42 54.24 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.351 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.82 64.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.521 HD12 ' CD2' ' A' ' 87' ' ' HIS . 4.6 mp -109.39 -21.41 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.55 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.682 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER 56.11 41.49 29.47 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 124.945 1.298 . . . . 0.0 109.845 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 68.1 mttm -49.67 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.642 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.465 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 14.1 t70 -172.0 140.05 1.18 Allowed 'General case' 0 CA--C 1.479 -1.777 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 m -87.86 -16.47 33.91 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.465 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 58.0 m -70.06 -40.16 75.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.108 -0.37 . . . . 0.0 110.173 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 10.4 ptp180 -72.16 -39.03 69.01 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 55.9 t60 -50.77 -39.66 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 111.811 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 p -91.12 18.2 7.15 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.409 0.623 . . . . 0.0 111.87 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -142.38 19.83 2.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 21.0 mt -76.44 123.18 25.61 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.327 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.24 150.6 23.8 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.7 ttmt -47.47 -45.63 26.26 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.29 74.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.01 -40.49 53.47 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.914 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.431 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.3 mt -62.34 -47.52 92.67 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.211 -1.358 . . . . 0.0 110.642 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 70.0 mt -59.62 -51.89 67.86 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.059 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 15.8 tt0 -58.63 -38.87 78.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.458 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.407 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 36.3 tpp -63.45 -35.47 80.55 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.979 0.895 . . . . 0.0 108.842 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.4 m -75.48 -43.7 47.9 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.887 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.662 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.7 t -64.0 -46.2 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 109.913 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 37.8 mttm -63.37 -32.96 74.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.341 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.521 ' CD2' HD12 ' A' ' 65' ' ' LEU . 11.6 t-160 -72.39 -29.64 63.94 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.213 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.1 pp -72.73 -29.03 63.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 7.4 mmm-85 -64.78 -45.47 86.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.68 -50.76 72.59 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.55 -41.99 98.17 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.857 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.37 -27.78 69.31 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -4.13 26.28 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.57 62.42 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.457 0.646 . . . . 0.0 111.386 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.698 0 C-N-CA 124.494 1.117 . . . . 0.0 110.134 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.374 0.13 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -136.35 92.82 15.19 Favored Pre-proline 0 C--N 1.312 -1.031 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -81.79 -72.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.702 2.268 . . . . 0.0 113.418 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -167.96 159.37 11.3 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.8 m -77.92 -19.66 54.28 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.879 0.371 . . . . 0.0 110.781 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 74.31 -44.63 0.57 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.482 1.513 . . . . 0.0 111.379 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 27.2 p -86.3 87.65 7.47 Favored 'General case' 0 N--CA 1.414 -2.236 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -91.96 103.15 15.7 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.728 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 69.52 -63.18 0.39 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.947 1.699 . . . . 0.0 112.532 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -126.52 116.47 21.14 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 120.911 0.386 . . . . 0.0 111.462 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -171.6 138.8 1.16 Allowed 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 76.1 p -83.14 150.75 26.07 Favored 'General case' 0 N--CA 1.411 -2.411 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.3 m -106.71 20.38 19.09 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.88 0.848 . . . . 0.0 108.781 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 9.1 mmpt? -87.23 124.96 67.48 Favored Pre-proline 0 N--CA 1.421 -1.92 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.14 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.37 -33.47 69.94 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.773 2.315 . . . . 0.0 110.555 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.57 -44.71 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.2 mmt -67.27 -41.67 85.11 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.39 -23.56 60.19 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.843 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -70.92 -43.33 68.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -59.77 -46.27 89.68 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.163 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.626 ' O ' HG13 ' B' ' 50' ' ' ILE . 21.9 ttm180 -57.03 -56.26 24.1 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 124.107 0.879 . . . . 0.0 109.427 174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' B' ' 50' ' ' ILE . 46.4 ttp180 -54.98 -46.78 75.13 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.569 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -60.46 -46.47 89.93 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.97 -26.96 64.34 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.208 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.626 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.4 mt -59.88 -50.89 78.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.18 -44.38 95.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.929 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 47.9 mt-10 -55.55 -47.74 75.87 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.236 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -74.76 -44.15 51.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.283 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.83 -41.1 99.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.765 0.426 . . . . 0.0 110.135 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -61.34 -53.64 54.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.183 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -30.61 69.53 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.183 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.54 -58.04 9.75 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.79 -42.2 75.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.063 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -62.52 -57.58 10.68 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.178 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.83 -34.08 77.34 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.957 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.71 -47.56 88.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.552 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' HD1' ' B' ' 72' ' ' HIS . 1.0 OUTLIER -66.79 -26.97 67.21 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.488 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 29.3 t70 -82.71 -31.18 28.64 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.379 0.609 . . . . 0.0 112.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.1 41.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.218 0.532 . . . . 0.0 110.508 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.3 -38.14 9.78 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.726 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 30.8 mtmt 54.79 69.34 0.74 Allowed 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.986 0.898 . . . . 0.0 111.864 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -75.81 -73.09 0.28 Allowed 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.511 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.4 149.49 7.09 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -87.04 -15.46 38.55 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.721 0.638 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -77.05 -43.11 35.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.481 0.658 . . . . 0.0 109.319 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -10.92 60.05 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.825 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.553 ' HA ' ' CD2' ' B' ' 75' ' ' LEU . 76.9 t60 -65.87 -30.27 70.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.01 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -79.36 -4.32 50.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.651 0.739 . . . . 0.0 111.505 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 27.26 8.32 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.532 1.158 . . . . 0.0 108.484 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.553 ' CD2' ' HA ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -79.74 119.17 22.29 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.976 174.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.417 ' O ' HG13 ' B' ' 80' ' ' ILE . 11.3 mm-40 -93.96 151.62 19.42 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 176.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.416 ' O ' HD12 ' B' ' 81' ' ' LEU . 33.8 ttmt -52.01 -45.7 64.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 118.75 0.705 . . . . 0.0 110.931 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.5 70.93 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.639 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -79.79 -42.14 25.04 Favored 'General case' 0 C--O 1.198 -1.652 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' ' 76' ' ' GLU . 75.3 mt -58.74 -53.26 49.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.516 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.515 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.9 mp -55.91 -52.54 63.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.497 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 22.1 tt0 -61.02 -37.35 82.25 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.555 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.16 -32.63 74.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.588 0.708 . . . . 0.0 109.209 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.6 m -74.99 -43.72 52.3 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.993 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.515 HG22 ' O ' ' B' ' 81' ' ' LEU . 59.5 t -66.66 -41.76 88.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 79.3 mttt -65.39 -32.05 73.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' B' ' 91' ' ' LEU . 11.8 t-80 -66.21 -34.52 78.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.079 174.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -61.27 -43.99 97.97 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -64.39 -43.98 92.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.064 -176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 80.1 m-20 -58.37 -50.32 74.1 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' B' ' 87' ' ' HIS . 94.7 mt -63.9 -42.77 97.37 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.967 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -69.66 -12.21 61.45 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -105.22 1.31 28.07 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.442 0.639 . . . . 0.0 110.996 -178.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.64 11.91 25.02 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.45 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.25 1.108 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -178.248 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 CA--C 1.504 -0.806 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 8.3 mtpm? -97.22 125.98 43.67 Favored Pre-proline 0 C--N 1.311 -1.102 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 172.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.95 -64.69 0.22 Allowed 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 124.461 3.441 . . . . 0.0 114.743 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -117.01 137.97 51.88 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.416 ' OG1' ' HG2' ' B' ' 28' ' ' PRO . 62.9 m -123.13 83.14 2.08 Favored 'General case' 0 N--CA 1.411 -2.407 0 CA-C-O 121.573 0.701 . . . . 0.0 110.507 176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.63 118.03 21.09 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 m -51.55 114.74 1.33 Allowed 'General case' 0 C--N 1.311 -1.101 0 O-C-N 124.305 1.003 . . . . 0.0 111.01 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -74.18 95.66 2.63 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-O 121.913 0.863 . . . . 0.0 109.794 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -85.64 -30.26 23.38 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.506 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 62.57 -68.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.351 1.46 . . . . 0.0 113.54 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -115.51 113.41 23.62 Favored 'General case' 0 N--CA 1.421 -1.912 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.2 m -141.15 -33.98 0.51 Allowed 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.31 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 p -141.76 163.38 33.06 Favored 'General case' 0 N--CA 1.405 -2.709 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HE2' ' HD2' ' A' ' 40' ' ' PRO . 7.4 mmpt? -78.94 136.53 58.05 Favored Pre-proline 0 C--N 1.284 -2.242 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.505 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 27.9 Cg_endo -62.76 -34.58 72.56 Favored 'Trans proline' 0 CA--C 1.505 -0.925 0 C-N-CA 122.942 2.428 . . . . 0.0 110.418 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 10.6 tt -72.87 -43.9 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.616 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.44 -44.34 94.82 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.895 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.74 -24.44 58.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -69.92 -42.75 72.9 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 79.8 mtp180 -57.5 -43.63 84.36 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.531 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -63.59 -52.01 62.82 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.574 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 50' ' ' ILE . 53.3 ttt180 -54.01 -45.84 71.61 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 123.568 0.747 . . . . 0.0 111.107 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.67 -49.1 78.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.981 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 45' ' ' ARG . 38.3 mtm180 -61.61 -35.93 79.26 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 123.282 0.364 . . . . 0.0 111.395 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.5 mt -57.98 -52.38 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.13 -41.65 99.35 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 34.5 mm-40 -59.45 -41.97 90.88 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.439 0.462 . . . . 0.0 111.874 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.1 m -76.48 -41.91 45.49 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -176.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -64.29 -42.39 96.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.581 0.752 . . . . 0.0 110.073 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 m -68.53 -42.17 78.87 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.055 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.35 -31.18 65.4 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.83 -0.544 . . . . 0.0 110.175 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 2.0 tm? -53.57 -58.72 6.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.856 1.662 . . . . 0.0 108.067 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -55.4 -50.28 70.16 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.267 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.4 m -56.57 -58.09 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.302 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.51 -32.8 74.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.44 -49.71 57.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 20.4 t70 -78.63 -39.13 38.01 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 123.913 0.885 . . . . 0.0 112.549 -178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -37.46 59.95 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.115 0.483 . . . . 0.0 110.794 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 87' ' ' HIS . 6.0 mp -94.2 -28.15 15.8 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.708 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 27.3 mtmt 52.39 58.37 5.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 123.052 1.406 . . . . 0.0 109.049 -176.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.529 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 30.0 mmmt -51.23 -70.44 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 110.783 -2.917 . . . . 0.0 111.209 -175.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.631 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 34.2 t70 178.5 147.5 0.17 Allowed 'General case' 0 CA--C 1.467 -2.225 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -87.21 -20.56 26.77 Favored 'General case' 0 N--CA 1.399 -2.992 0 O-C-N 123.611 0.569 . . . . 0.0 111.852 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.631 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 70.4 m -78.41 -37.7 43.25 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.283 0.564 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.504 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.23 -6.58 59.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.492 0.663 . . . . 0.0 110.315 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 25.1 t-80 -90.22 170.36 10.35 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m 76.15 -54.25 0.6 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.939 1.295 . . . . 0.0 111.924 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 38.81 1.28 Allowed 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.658 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 13.2 tp -94.26 110.8 22.52 Favored 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 112.967 -1.924 . . . . 0.0 106.23 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.64 149.6 41.89 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.918 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.2 ttmt -48.57 -44.92 37.13 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 123.843 0.857 . . . . 0.0 112.746 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.97 72.0 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.903 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.24 -36.52 39.82 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.658 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 95.5 mt -60.52 -54.59 32.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.036 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 77' ' ' LYS . 9.0 mp -55.15 -52.88 61.87 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.901 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.62 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 pt-20 -71.48 -23.8 61.88 Favored 'General case' 0 C--O 1.189 -2.114 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.529 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 38.6 tpp -64.51 -42.91 95.51 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.664 0.745 . . . . 0.0 109.052 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.486 HG21 ' CD2' ' A' ' 57' ' ' LEU . 6.2 m -60.63 -44.09 96.76 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.523 176.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 87.4 t -61.35 -41.7 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.434 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 52.4 mttm -65.33 -42.89 92.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.49 ' CD2' HD23 ' B' ' 88' ' ' LEU . 27.2 t60 -66.77 -26.95 67.21 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.511 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 13.8 tp -63.46 -43.14 98.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 11.2 mmm-85 -65.54 -43.51 89.72 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.111 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -55.82 -55.14 36.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.071 0.857 . . . . 0.0 111.022 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.99 -35.43 80.67 Favored 'General case' 0 C--O 1.205 -1.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.382 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -67.41 -23.5 65.56 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 8.4 ppt_? -111.9 16.12 20.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.273 0.558 . . . . 0.0 111.419 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.54 25.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.598 0.714 . . . . 0.0 110.441 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.424 -1.736 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' MET . . . . . 0.454 ' HG2' ' H ' ' B' ' 27' ' ' LYS . 21.9 ttp . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.454 ' H ' ' HG2' ' B' ' 26' ' ' MET . 83.2 tttt -48.98 -48.66 71.83 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.416 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.0 Cg_exo -69.74 77.47 1.06 Allowed 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 121.401 1.401 . . . . 0.0 109.984 171.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -87.39 -51.67 5.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.192 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -84.49 73.16 10.56 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 122.206 1.003 . . . . 0.0 108.812 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.15 21.51 2.8 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.442 -1.253 . . . . 0.0 107.763 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -83.84 80.25 9.21 Favored 'General case' 0 N--CA 1.419 -1.993 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.182 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -134.6 131.91 38.4 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 173.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -109.63 -167.19 1.17 Allowed 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -54.15 111.74 0.83 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -94.56 132.5 39.18 Favored 'General case' 0 N--CA 1.397 -3.078 0 CA-C-O 121.716 0.769 . . . . 0.0 112.322 -166.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.4 m -164.56 19.24 0.06 Allowed 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 113.151 -1.841 . . . . 0.0 109.648 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -158.54 167.42 29.65 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.45 148.65 47.32 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.425 ' O ' ' HG3' ' B' ' 44' ' ' LYS . 8.6 Cg_endo -52.49 -48.14 23.42 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.84 2.36 . . . . 0.0 111.752 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.49 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 8.6 tt -64.26 -44.88 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.018 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.87 -41.37 82.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.1 -24.37 58.07 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 40' ' ' PRO . 50.2 mtmt -72.22 -41.8 66.47 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 76.8 mtp180 -59.08 -48.93 79.81 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.501 ' O ' HG13 ' B' ' 50' ' ' ILE . 33.3 ttm180 -60.3 -55.04 38.56 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.101 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.9 ttt180 -51.79 -47.78 64.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.61 0.764 . . . . 0.0 110.498 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.83 -52.76 63.83 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.905 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -64.28 -31.33 72.48 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 123.144 0.277 . . . . 0.0 110.985 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.2 mt -61.49 -49.45 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.31 0.576 . . . . 0.0 109.507 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -66.2 -39.03 89.37 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.274 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.7 mm-40 -58.46 -44.19 89.15 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 123.565 0.54 . . . . 0.0 111.099 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.3 p -76.04 -43.29 44.63 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.404 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.31 -42.71 96.12 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.564 0.697 . . . . 0.0 109.487 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.5 m -65.73 -48.11 73.06 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.786 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.32 -29.65 66.43 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.481 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -55.83 -58.41 7.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.071 0.948 . . . . 0.0 110.69 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.432 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 59.5 pttt -63.1 -36.26 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 88.3 m -59.17 -57.17 14.23 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 123.899 0.749 . . . . 0.0 110.65 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.22 -36.35 74.49 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mm -63.09 -49.56 82.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.451 0.643 . . . . 0.0 110.562 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.99 -34.91 78.77 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.548 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.3 t70 -77.41 -25.67 50.96 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 123.289 0.636 . . . . 0.0 111.798 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.29 -36.66 63.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.964 0.411 . . . . 0.0 110.232 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.58 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.7 mp -96.18 -32.21 12.59 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.759 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.548 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 24.5 mtmt 55.89 58.42 4.44 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-O 122.618 1.199 . . . . 0.0 109.751 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -63.59 -69.68 0.26 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 112.347 -2.206 . . . . 0.0 111.189 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.56 ' OD2' ' HB2' ' B' ' 70' ' ' SER . 13.7 t70 179.98 147.25 0.26 Allowed 'General case' 0 CA--C 1.47 -2.1 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -86.77 -23.95 25.25 Favored 'General case' 0 N--CA 1.399 -3.011 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.98 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' SER . . . . . 0.56 ' HB2' ' OD2' ' B' ' 68' ' ' ASP . 35.2 m -69.11 -43.28 74.79 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.173 0.511 . . . . 0.0 109.721 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.488 HH12 HD21 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -76.23 -9.55 58.72 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.067 176.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.412 ' CD2' ' HG ' ' B' ' 62' ' ' LEU . 35.2 t-80 -86.97 -22.76 25.38 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 39.0 m -90.03 6.43 42.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.633 0.73 . . . . 0.0 110.982 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.432 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -141.19 74.4 1.46 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.433 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.488 HD21 HH12 ' B' ' 71' ' ' ARG . 28.5 mt -135.12 124.6 24.94 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.565 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -88.28 157.97 18.6 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.47 ' O ' HD12 ' B' ' 81' ' ' LEU . 31.9 ttmt -50.84 -46.09 59.96 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.128 0.571 . . . . 0.0 112.175 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.87 71.6 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.84 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -75.96 -39.96 54.93 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.143 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 80.7 mt -61.13 -48.16 90.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.087 176.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.47 HD12 ' O ' ' B' ' 77' ' ' LYS . 7.0 mp -58.46 -51.31 70.39 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.647 177.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.634 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.4 tt0 -62.79 -38.25 89.92 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.824 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.8 ttp -61.39 -37.29 82.89 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.505 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 27.3 m -67.13 -49.87 63.34 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.689 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.468 HG22 ' O ' ' B' ' 81' ' ' LEU . 40.0 t -60.53 -46.45 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 121.144 0.497 . . . . 0.0 110.677 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.9 mtmt -64.31 -37.88 89.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.128 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.58 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.8 t-160 -67.4 -29.58 69.12 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.307 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 87' ' ' HIS . 1.1 tm? -67.34 -35.65 79.83 Favored 'General case' 0 N--CA 1.418 -2.038 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -68.79 -35.19 76.72 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.647 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . 0.48 ' O ' ' HD3' ' B' ' 93' ' ' ARG . 59.2 m-20 -62.04 -46.64 88.29 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.898 0.856 . . . . 0.0 109.158 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.428 ' HA ' ' NE2' ' B' ' 95' ' ' GLN . 94.4 mt -66.16 -39.74 90.02 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.877 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.91 -17.22 63.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -96.48 -23.39 16.59 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 116.27 -2.172 . . . . 0.0 109.973 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.461 ' HB3' HE21 ' B' ' 95' ' ' GLN . . . -95.48 -17.66 21.3 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -178.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' B' ' 94' ' ' ALA . 1.1 mt-30 . . . . . 0 C--N 1.309 -1.194 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.465 0.174 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -113.03 108.16 53.49 Favored Pre-proline 0 C--O 1.241 0.649 0 O-C-N 122.309 -0.244 . . . . 0.0 110.789 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -83.36 164.7 14.66 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.152 1.901 . . . . 0.0 109.367 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.0 122.97 16.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.6 m -106.25 88.12 2.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.74 -60.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -104.79 -162.21 0.87 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.847 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -54.69 117.82 3.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.388 0.675 . . . . 0.0 112.287 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -153.67 9.14 0.39 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.674 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -121.45 -47.01 2.25 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.21 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? 67.48 86.41 0.13 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.533 1.158 . . . . 0.0 111.183 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 t -138.09 92.32 2.65 Favored 'General case' 0 C--N 1.276 -2.622 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -114.6 -2.57 13.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 7.6 mmpt? -104.7 115.5 62.56 Favored Pre-proline 0 N--CA 1.432 -1.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.67 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.86 -33.8 83.63 Favored 'Trans proline' 0 C--O 1.221 -0.342 0 C-N-CA 123.261 2.64 . . . . 0.0 111.366 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 12.2 tt -70.25 -47.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.704 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.3 -43.48 98.73 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.482 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.2 pt-20 -74.0 -24.94 59.65 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.406 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -75.62 -37.25 59.89 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.345 0.593 . . . . 0.0 109.574 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 60.7 mtp180 -69.23 -44.77 71.33 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.304 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.515 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.1 ttm180 -58.99 -47.22 85.97 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.272 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -51.83 -48.1 64.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.185 0.994 . . . . 0.0 111.382 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.64 -48.28 79.91 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -61.61 -43.37 98.98 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.691 0.62 . . . . 0.0 111.075 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 46' ' ' ARG . 88.4 mt -54.99 -52.68 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 121.156 0.503 . . . . 0.0 110.422 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.33 -44.1 97.28 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 37.8 mm-40 -64.63 -37.4 87.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 p -77.26 -34.96 55.67 Favored 'General case' 0 N--CA 1.427 -1.605 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.272 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -73.52 -37.2 65.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.614 0.721 . . . . 0.0 109.403 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -70.65 -41.43 72.13 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.597 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.36 -31.56 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 9.3 tt -56.52 -58.25 8.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 110.233 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -60.75 -36.92 80.13 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.145 0.278 . . . . 0.0 110.982 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -64.0 -51.96 61.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.278 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.16 -27.74 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.4 mm -69.78 -55.53 14.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 CA-C-O 121.207 0.527 . . . . 0.0 109.935 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.8 OUTLIER -58.22 -31.35 67.28 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.75 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 11.8 t70 -81.66 -27.71 33.92 Favored 'General case' 0 C--O 1.203 -1.378 0 C-N-CA 123.425 0.69 . . . . 0.0 111.67 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.85 61.49 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.438 -0.789 . . . . 0.0 111.569 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.606 ' N ' HD13 ' A' ' 65' ' ' LEU . 1.7 mp -115.98 -37.97 3.75 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.91 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.75 ' HE3' ' O ' ' A' ' 63' ' ' ASP 0.315 92.0 mttt 69.43 75.61 0.23 Allowed 'General case' 0 CA--C 1.468 -2.2 0 CA-C-O 123.667 1.699 . . . . 0.0 112.154 -176.057 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.21 -71.03 0.43 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 110.931 -2.85 . . . . 0.0 109.657 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.603 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 38.5 t70 -173.45 126.84 0.42 Allowed 'General case' 0 CA--C 1.467 -2.217 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 30.7 p -84.34 -15.4 46.62 Favored 'General case' 0 N--CA 1.4 -2.958 0 C-N-CA 120.025 -0.67 . . . . 0.0 112.175 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.603 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 44.9 m -71.75 -43.52 65.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -75.38 -12.53 60.27 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 120.807 0.337 . . . . 0.0 110.458 176.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 40.8 t-80 -65.76 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 109.528 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.3 m -82.47 -0.36 46.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.892 0.853 . . . . 0.0 110.349 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.67 19.51 6.16 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -81.67 119.33 23.69 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.665 -178.564 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' O ' HG13 ' A' ' 80' ' ' ILE . 80.4 mt-10 -97.37 152.43 18.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.487 ' O ' HD11 ' A' ' 81' ' ' LEU . 25.0 ttpt -47.84 -46.92 31.51 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.2 73.65 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.131 0.491 . . . . 0.0 112.007 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.38 -39.22 59.41 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 76' ' ' GLU . 70.0 mt -66.01 -51.45 60.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.196 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG21 ' A' ' 85' ' ' VAL . 4.5 mp -53.53 -53.39 52.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.896 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.1 tt0 -63.51 -35.51 80.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.2 ttm -65.11 -37.66 88.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.737 0.779 . . . . 0.0 109.339 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.3 m -71.92 -43.11 65.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.464 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG21 ' O ' ' A' ' 81' ' ' LEU . 40.7 t -64.04 -45.96 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 72.2 mttt -65.72 -36.4 83.51 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.495 -178.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -70.44 -26.34 63.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.25 -34.44 74.79 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 22.7 mmm180 -67.46 -38.16 84.04 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.66 -51.55 69.46 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.291 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.486 HD23 HE22 ' A' ' 95' ' ' GLN . 65.4 mt -66.03 -32.88 74.61 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.447 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.459 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 11.8 mm-40 -72.97 -11.84 60.72 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -2.4 12.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.475 ' HA ' HE21 ' A' ' 95' ' ' GLN . . . 61.83 29.14 17.84 Favored 'General case' 0 N--CA 1.421 -1.898 0 C-N-CA 125.842 1.657 . . . . 0.0 111.279 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.486 HE22 HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.272 0 CA-C-N 111.877 -2.42 . . . . 0.0 113.376 171.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -144.51 139.91 16.06 Favored Pre-proline 0 N--CA 1.434 -1.241 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 -32.97 84.26 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.481 2.12 . . . . 0.0 110.475 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 75.28 166.15 0.28 Allowed 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.386 1.474 . . . . 0.0 111.012 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.3 m -55.11 -43.8 74.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.45 134.46 22.62 Favored 'General case' 0 N--CA 1.413 -2.296 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -85.49 123.23 30.68 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.475 ' HA ' ' CE ' ' B' ' 36' ' ' LYS . 14.6 mm-40 -77.57 -47.86 18.39 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 t60 64.95 -75.21 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.002 1.321 . . . . 0.0 111.082 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -141.09 -36.62 0.45 Allowed 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' B' ' 33' ' ' GLU . 12.9 tppt? 64.72 108.91 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 126.217 1.807 . . . . 0.0 112.698 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.2 p -78.64 -34.73 46.24 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.726 0.774 . . . . 0.0 110.742 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.4 p -174.62 168.22 3.75 Favored 'General case' 0 N--CA 1.409 -2.504 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 8.3 mmpt? -72.91 128.78 87.52 Favored Pre-proline 0 C--N 1.285 -2.218 0 CA-C-N 118.083 0.402 . . . . 0.0 110.286 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -59.36 -34.26 97.65 Favored 'Trans proline' 0 CA--C 1.51 -0.71 0 C-N-CA 123.223 2.615 . . . . 0.0 110.875 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -71.98 -46.01 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.347 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.423 ' HA ' ' HE3' ' B' ' 42' ' ' MET . 5.7 mmt -65.19 -41.89 94.13 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.62 0.248 . . . . 0.0 111.554 -178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.3 pt-20 -75.77 -24.71 56.05 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -74.77 -42.43 58.17 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -60.65 -43.83 97.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.853 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.481 ' O ' HG13 ' B' ' 50' ' ' ILE . 39.5 ttm180 -61.54 -50.44 72.68 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.778 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.437 ' HA ' HD13 ' B' ' 50' ' ' ILE . 73.4 ttt180 -55.63 -48.48 74.88 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.411 0.685 . . . . 0.0 111.576 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.03 -48.55 81.19 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.974 0.509 . . . . 0.0 110.052 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -37.31 83.22 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.481 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.7 mt -57.96 -53.2 48.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 123.106 0.563 . . . . 0.0 109.877 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -56.81 -47.35 80.46 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 65.5 mm-40 -58.24 -41.21 83.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.247 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -76.08 -37.81 57.77 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.754 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -72.69 -37.45 67.87 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.74 -42.98 97.77 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.347 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.04 -34.78 71.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.092 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.2 tt -55.3 -58.25 8.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.537 1.135 . . . . 0.0 109.154 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -47.97 -46.22 32.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 125.446 1.499 . . . . 0.0 111.407 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -70.85 -50.29 36.89 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.279 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.4 mt -69.42 -30.55 68.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mm -66.46 -48.24 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.673 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -38.38 79.82 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.746 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 42.6 m-20 -77.7 -24.39 49.26 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -27.89 61.16 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 120.913 -1.117 . . . . 0.0 111.487 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.695 ' N ' HD12 ' B' ' 65' ' ' LEU . 3.3 mp -110.09 -30.11 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.07 -177.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.746 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 66.9 mmtt 64.11 69.57 0.53 Allowed 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 122.186 0.994 . . . . 0.0 110.718 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -84.89 -83.88 0.16 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.33 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -157.66 143.0 17.03 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.074 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.5 p -86.73 -21.04 26.84 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.362 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -74.81 -45.0 46.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.867 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -2.64 57.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.809 -178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.426 ' HA ' HD11 ' B' ' 75' ' ' LEU . 3.2 t-160 -55.96 -42.64 76.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.4 p -91.99 9.02 34.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.458 0.647 . . . . 0.0 112.176 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -113.96 9.56 17.44 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 123.393 1.568 . . . . 0.0 108.31 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' B' ' 72' ' ' HIS . 3.2 mt -89.78 119.96 30.62 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.537 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -80.95 158.58 25.18 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.468 ' O ' HD12 ' B' ' 81' ' ' LEU . 19.5 ttmm -49.84 -52.6 31.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.204 0.602 . . . . 0.0 112.249 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.04 -30.19 64.03 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.227 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.06 -44.48 22.07 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.931 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.4 -50.51 80.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.227 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG21 ' B' ' 85' ' ' VAL . 8.3 mp -52.86 -53.0 55.25 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.548 0.53 . . . . 0.0 110.719 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 12.7 tt0 -65.1 -34.49 78.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.31 -35.64 78.11 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.858 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.483 HG21 ' O ' ' B' ' 81' ' ' LEU . 43.9 t -66.79 -43.08 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 63.6 mttt -68.81 -31.82 71.08 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -71.32 -27.7 63.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.78 0.324 . . . . 0.0 110.132 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.481 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 3.7 tt -63.29 -42.41 99.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 18.2 mmm180 -65.22 -42.58 93.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.165 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.77 -49.17 77.47 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.762 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.14 -48.12 81.51 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.278 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.56 -16.41 47.67 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -107.46 0.07 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 111.227 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.78 10.03 38.71 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.435 -1.188 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.05 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -125.99 156.02 72.36 Favored Pre-proline 0 C--N 1.312 -1.026 0 O-C-N 121.977 -0.452 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -64.09 -29.24 65.58 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.372 2.048 . . . . 0.0 109.377 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt 66.35 -82.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.08 1.352 . . . . 0.0 112.074 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.1 m -154.72 122.0 5.64 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.97 77.5 10.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.799 0.809 . . . . 0.0 109.424 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 m -160.23 174.8 13.69 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.11 123.73 27.21 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.87 77.64 3.46 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -97.7 -47.42 5.61 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 170.416 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -171.83 161.8 5.97 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t -123.19 18.34 9.92 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.993 0.901 . . . . 0.0 109.975 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -167.22 -178.11 3.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.496 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -89.19 122.73 68.44 Favored Pre-proline 0 N--CA 1.415 -2.216 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.952 176.48 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.53 -36.44 97.37 Favored 'Trans proline' 0 C--O 1.215 -0.663 0 C-N-CA 123.055 2.503 . . . . 0.0 111.629 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -71.96 -43.1 68.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.219 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.4 mmm -67.62 -43.94 79.2 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.997 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.38 -23.56 59.01 Favored 'General case' 0 C--O 1.197 -1.7 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.975 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -75.48 -41.28 55.89 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -63.31 -43.52 97.59 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.36 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.6 ttm180 -62.63 -48.39 79.6 Favored 'General case' 0 C--O 1.197 -1.699 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.143 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' HA ' HD11 ' A' ' 50' ' ' ILE . 39.1 ttm180 -57.58 -43.55 84.68 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.554 1.142 . . . . 0.0 111.505 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.42 -49.8 75.96 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -62.97 -36.22 82.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.684 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 46' ' ' ARG . 89.8 mt -57.37 -53.66 41.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 C-N-CA 123.158 0.583 . . . . 0.0 109.648 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -60.04 -48.36 82.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.723 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 10.5 mm-40 -60.43 -40.69 91.98 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 123.664 0.602 . . . . 0.0 112.143 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.0 t -77.05 -39.04 51.39 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 121.953 -0.467 . . . . 0.0 110.786 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.5 tt -65.4 -44.23 88.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -62.62 -44.57 95.95 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.53 -25.95 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.627 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.72 -56.31 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.969 0.507 . . . . 0.0 109.814 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.61 -37.17 72.83 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.206 0.316 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -60.68 -51.68 68.32 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.54 -40.37 73.47 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.64 -48.04 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.215 0.531 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.08 -19.95 62.41 Favored 'General case' 0 C--O 1.192 -1.956 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.537 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 8.3 t70 -82.51 -29.94 30.14 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.74 0.781 . . . . 0.0 109.267 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.27 -35.55 58.86 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.517 HD12 ' ND1' ' A' ' 87' ' ' HIS . 5.1 mp -108.57 -34.93 6.59 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.199 -1.001 . . . . 0.0 112.831 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.537 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 34.8 mtmt 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.691 0.758 . . . . 0.0 112.19 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.28 -62.3 1.7 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.283 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 10.1 m-20 -151.5 139.13 19.67 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.433 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 p -79.41 -31.87 42.81 Favored 'General case' 0 C--N 1.283 -2.294 0 O-C-N 124.001 0.813 . . . . 0.0 109.595 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -66.18 -37.69 86.23 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.059 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.526 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 15.2 ptp180 -69.5 -42.6 74.53 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 24.1 t-80 -55.69 -40.66 72.65 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.724 1.21 . . . . 0.0 111.401 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -79.83 1.44 26.93 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 44.11 0.57 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 123.071 1.415 . . . . 0.0 108.617 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 12.4 mt -81.01 118.86 22.84 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.523 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.38 155.03 20.76 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.644 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 20.1 ttmm -44.36 -54.93 5.37 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.83 -33.61 61.87 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 124.35 1.06 . . . . 0.0 112.464 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.79 -34.82 39.35 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.994 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.538 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 62.7 mt -72.95 -50.61 31.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.238 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 47.7 mt -54.73 -48.85 72.05 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 123.989 0.806 . . . . 0.0 109.335 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.698 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 28.0 tt0 -57.38 -49.0 77.59 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.423 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 tpp -53.65 -40.26 65.72 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 124.81 1.244 . . . . 0.0 110.863 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -46.43 78.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 110.752 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 81' ' ' LEU . 24.9 t -58.07 -44.11 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.625 1.203 . . . . 0.0 108.613 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.698 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 12.5 mmtp -65.92 -37.24 85.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.932 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.517 ' ND1' HD12 ' A' ' 65' ' ' LEU . 75.6 t60 -73.14 -27.9 61.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.156 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.9 tm? -57.94 -50.99 71.5 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 175.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.9 mpt_? -58.99 -45.27 91.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 123.318 0.386 . . . . 0.0 110.725 177.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.41 -52.12 64.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 123.698 0.624 . . . . 0.0 111.512 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.1 mt -71.63 -17.71 62.25 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -86.42 -21.67 26.99 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.174 0.511 . . . . 0.0 112.056 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.5 ppt_? -110.7 9.62 22.8 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.237 0.541 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.9 60.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.462 0.649 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 C--O 1.24 0.595 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.41 ' HB3' ' HD3' ' B' ' 28' ' ' PRO . 40.1 ttmt -99.72 -50.1 0.2 Allowed Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.41 ' HD3' ' HB3' ' B' ' 27' ' ' LYS . 24.3 Cg_exo -68.79 153.78 72.36 Favored 'Trans proline' 0 C--N 1.387 2.585 0 N-CA-C 107.817 -1.647 . . . . 0.0 107.817 167.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' B' ' 29' ' ' LYS . 3.4 mptp? -94.42 -35.26 12.42 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.378 -173.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -132.43 116.23 16.54 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.694 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.97 152.78 13.61 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -84.92 78.78 9.83 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 121.26 0.553 . . . . 0.0 110.814 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . 0.486 0.0 OUTLIER 44.09 -78.92 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.47 2.767 . . . . 0.0 118.47 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -116.83 -3.52 11.67 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 118.712 0.687 . . . . 0.0 111.854 -176.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -121.65 118.17 28.49 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.379 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -165.85 116.21 1.03 Allowed 'General case' 0 C--O 1.246 0.902 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m 65.66 88.55 0.11 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.795 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -134.0 167.71 20.12 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.483 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -104.7 134.84 19.45 Favored Pre-proline 0 C--N 1.286 -2.164 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.187 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -58.54 -37.54 94.05 Favored 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.445 2.097 . . . . 0.0 110.518 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 tt -69.05 -45.56 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.18 -39.78 86.45 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.44 -21.61 59.52 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.954 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -69.7 -42.08 74.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.498 0.666 . . . . 0.0 109.482 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.705 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.535 ' O ' HG13 ' B' ' 50' ' ' ILE . 45.2 ttp180 -58.92 -53.9 53.24 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.522 ' HA ' HD11 ' B' ' 50' ' ' ILE . 61.7 ttp180 -49.18 -47.98 45.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.927 1.291 . . . . 0.0 111.518 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -61.07 -49.32 77.82 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.419 HH21 ' CD ' ' A' ' 82' ' ' GLU . 52.4 ttt180 -61.92 -30.86 71.18 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.568 0.543 . . . . 0.0 110.239 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.535 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.8 mt -61.87 -56.98 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -61.21 -45.29 95.2 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.977 0.418 . . . . 0.0 110.549 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 39.3 mt-10 -62.52 -42.0 99.22 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.146 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -76.78 -38.17 54.54 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.884 -0.726 . . . . 0.0 111.113 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -41.16 89.99 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 33.0 t -70.43 -42.67 71.25 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.68 -28.91 67.29 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.323 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.6 HD22 ' CG2' ' B' ' 84' ' ' THR . 3.1 tm? -63.48 -59.43 4.67 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.175 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.19 44.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -66.83 -59.81 3.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.317 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -40.4 95.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.473 ' O ' HD13 ' B' ' 65' ' ' LEU . 48.8 mm -63.67 -50.49 77.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.068 0.461 . . . . 0.0 110.869 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.433 ' HG ' ' HD1' ' B' ' 72' ' ' HIS . 0.4 OUTLIER -67.59 -33.08 74.28 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.567 -175.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.658 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 11.7 m-20 -77.84 -27.97 50.02 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.42 -37.26 25.75 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.104 -1.039 . . . . 0.0 110.818 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.473 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.5 mp -88.71 -28.19 20.71 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.024 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.658 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 58.01 66.03 1.19 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.548 1.155 . . . . 0.0 110.512 178.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -76.36 -71.56 0.38 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.976 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -172.75 145.53 1.5 Allowed 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -76.05 -28.89 57.83 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 123.711 0.632 . . . . 0.0 110.939 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -72.78 -38.43 67.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.589 ' NH1' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -80.15 -16.55 54.65 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.833 -178.81 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.433 ' HD1' ' HG ' ' B' ' 62' ' ' LEU . 12.4 t60 -67.78 -42.41 81.71 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -83.97 7.8 17.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.432 0.634 . . . . 0.0 111.014 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -127.57 23.88 6.25 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.981 1.372 . . . . 0.0 107.49 178.216 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.589 HD23 ' NH1' ' B' ' 71' ' ' ARG . 34.7 mt -82.04 98.1 8.46 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.849 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.16 162.96 23.42 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.54 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.7 ttmt -52.11 -47.63 65.2 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -26.65 68.57 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.729 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -43.67 55.06 Favored 'General case' 0 CA--C 1.484 -1.568 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.608 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 57.2 mt -66.23 -51.52 58.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.445 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 72.1 mt -53.48 -50.81 64.57 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 123.89 0.744 . . . . 0.0 110.617 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.651 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 25.0 tt0 -60.18 -42.33 94.78 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.127 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.82 -34.71 76.43 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -173.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.6 ' CG2' HD22 ' B' ' 57' ' ' LEU . 0.2 OUTLIER -66.74 -47.15 73.14 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 81' ' ' LEU . 48.0 t -59.56 -42.44 88.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 121.987 0.899 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.7 mtmt -65.66 -34.56 78.5 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.545 177.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.476 ' HD1' HD13 ' B' ' 91' ' ' LEU . 0.0 OUTLIER -65.43 -34.54 78.53 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.1 -47.81 84.36 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -57.62 -47.68 81.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.434 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.68 -56.32 22.7 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.665 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.476 HD13 ' HD1' ' B' ' 87' ' ' HIS . 64.9 mt -64.78 -34.98 79.63 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.883 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -62.52 -33.76 75.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.816 0.341 . . . . 0.0 111.795 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.76 -6.25 43.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.05 62.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.376 0.607 . . . . 0.0 110.44 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.037 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -90.03 166.39 20.5 Favored Pre-proline 0 C--O 1.251 1.178 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.8 142.75 24.87 Favored 'Trans proline' 0 C--N 1.362 1.245 0 C-N-CA 123.173 2.582 . . . . 0.0 112.764 175.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HZ2' ' CD ' ' B' ' 33' ' ' GLU . 20.7 pttp -140.0 179.01 6.86 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.792 -174.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 m -91.93 96.88 10.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.02 -4.21 19.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.269 0.557 . . . . 0.0 110.768 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -149.43 150.34 32.23 Favored 'General case' 0 N--CA 1.427 -1.578 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -81.64 -27.58 34.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 m80 66.37 166.28 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.63 1.172 . . . . 0.0 110.853 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -163.62 164.6 24.0 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -172.61 115.2 0.3 Allowed 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.996 2.119 . . . . 0.0 105.606 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.1 p -129.14 -38.21 1.62 Allowed 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -129.46 -94.7 0.41 Allowed 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.8 mmpt? -106.29 124.87 34.45 Favored Pre-proline 0 C--N 1.274 -2.686 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.411 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.68 -38.21 73.35 Favored 'Trans proline' 0 C--O 1.217 -0.573 0 C-N-CA 122.722 2.281 . . . . 0.0 110.985 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 tt -70.61 -45.03 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.69 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.7 mmt -65.55 -42.49 91.84 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 120.907 0.384 . . . . 0.0 111.91 -177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.16 -16.75 56.16 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.883 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -37.4 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 172.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -67.17 -42.62 83.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.515 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 ttm180 -64.17 -40.45 96.15 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.799 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.5 ttp180 -55.71 -44.15 77.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.343 0.657 . . . . 0.0 110.122 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -56.61 -51.95 66.72 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.8 -39.3 77.23 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.516 0.51 . . . . 0.0 111.398 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.8 mt -58.73 -53.32 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 O-C-N 123.403 0.44 . . . . 0.0 110.013 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.55 -45.5 93.9 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 120.994 0.426 . . . . 0.0 110.586 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 40.8 mt-10 -60.94 -42.56 98.41 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.939 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -76.86 -35.0 57.79 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.498 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.73 -40.15 69.6 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -64.34 -49.47 71.54 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.407 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 10.5 pt20 -67.41 -30.56 70.35 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.55 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.89 -57.35 13.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -52.75 -44.47 66.48 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.648 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.9 m -65.4 -50.26 66.17 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.094 -174.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 79.4 mt -73.05 -30.7 63.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -175.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.7 mm -66.59 -46.51 85.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.065 0.459 . . . . 0.0 110.173 175.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -20.77 64.34 Favored 'General case' 0 C--O 1.197 -1.702 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.45 -31.26 29.55 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.665 0.786 . . . . 0.0 111.037 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.99 -36.78 24.77 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.475 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 87' ' ' HIS . 5.8 mp -95.62 -37.06 11.0 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.236 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 55.06 67.02 1.08 Allowed 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 122.438 1.113 . . . . 0.0 111.982 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 66.9 mttm -78.57 -71.33 0.44 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.62 152.12 3.08 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -87.23 -20.17 27.31 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.566 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -71.39 -45.95 61.49 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.674 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -73.35 -17.94 61.24 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.661 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -72.87 -34.85 67.0 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 m -80.32 -8.81 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.551 0.691 . . . . 0.0 111.107 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -117.38 19.82 13.88 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 122.915 1.341 . . . . 0.0 108.026 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 17.0 mt -83.28 109.58 17.37 Favored 'General case' 0 N--CA 1.411 -2.383 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -80.09 156.86 26.86 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-N 114.229 -1.35 . . . . 0.0 108.097 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 28.5 ttpt -52.93 -42.14 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.03 73.53 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.309 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.02 -43.56 24.05 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.735 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.423 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.3 mt -59.04 -51.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 83.5 mt -58.64 -50.49 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.5 tt0 -61.08 -37.36 82.43 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.826 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.623 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 47.6 tpp -64.79 -38.08 89.78 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.428 0.632 . . . . 0.0 109.511 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 m -66.96 -39.16 87.18 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.659 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.6 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 46.7 t -71.81 -42.66 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 110.158 178.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.7 mtmt -65.94 -36.78 84.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.963 0.411 . . . . 0.0 110.977 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.567 ' CG ' HD13 ' A' ' 65' ' ' LEU . 80.8 t60 -70.93 -27.14 63.55 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.795 0.331 . . . . 0.0 110.152 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.8 tp -62.36 -40.09 95.28 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -65.02 -42.68 94.19 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.149 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 93' ' ' ARG . 62.7 m-20 -59.98 -46.14 90.41 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.529 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.45 -43.85 76.17 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.029 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -63.05 -17.32 62.12 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -104.5 -14.42 15.69 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 116.454 -2.098 . . . . 0.0 109.035 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.97 -7.05 59.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.87 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.034 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 CA--C 1.506 -0.747 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 64.24 103.25 0.03 OUTLIER Pre-proline 0 C--O 1.241 0.631 0 O-C-N 124.598 1.187 . . . . 0.0 110.68 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -73.65 134.94 21.05 Favored 'Trans proline' 0 N--CA 1.443 -1.464 0 C-N-CA 122.065 1.844 . . . . 0.0 112.649 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -115.34 95.96 5.43 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -68.61 137.58 54.36 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.053 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.14 75.06 10.37 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -59.79 142.71 52.79 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.769 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.549 ' CD ' ' HZ2' ' A' ' 29' ' ' LYS . 21.1 tt0 -80.62 82.46 6.63 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -104.1 1.71 31.18 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 122.007 0.908 . . . . 0.0 108.65 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -149.74 143.2 25.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.669 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -158.45 162.77 37.57 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -138.39 103.73 4.97 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -95.41 -0.06 52.9 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.5 mmpt? -86.93 122.4 71.3 Favored Pre-proline 0 N--CA 1.427 -1.616 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 172.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.53 -37.78 78.01 Favored 'Trans proline' 0 CA--C 1.513 -0.559 0 C-N-CA 123.581 2.854 . . . . 0.0 111.809 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 10.3 tt -76.78 -42.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.201 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 96.9 mmm -65.02 -40.46 94.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.303 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.77 -30.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.034 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -74.69 -45.0 47.31 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 43.5 mtp-105 -58.56 -43.31 89.31 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.313 0.578 . . . . 0.0 110.041 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.516 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.7 ttm105 -62.41 -54.55 38.58 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.708 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' B' ' 50' ' ' ILE . 26.4 ttt85 -54.77 -47.19 74.23 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.072 0.949 . . . . 0.0 111.501 -177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -57.93 -50.94 71.64 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 123.207 0.603 . . . . 0.0 109.956 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -66.08 -30.99 71.6 Favored 'General case' 0 C--O 1.205 -1.253 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.383 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.516 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -59.02 -56.96 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.948 0.404 . . . . 0.0 110.09 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -61.28 -43.01 99.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.465 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.6 mm-40 -66.84 -37.8 85.17 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 28.6 p -75.74 -41.6 52.85 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.761 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.48 -38.63 87.99 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.6 0.563 . . . . 0.0 109.65 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 14.3 t -66.41 -51.39 57.47 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.87 -30.34 69.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.606 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.28 -54.88 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.491 1.116 . . . . 0.0 108.739 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' B' ' 55' ' ' SER . 5.0 ttpm? -48.17 -48.69 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.777 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 32.9 m -67.63 -55.2 14.25 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 114.563 -1.198 . . . . 0.0 111.479 -172.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.51 -35.97 81.57 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.566 ' O ' HD13 ' B' ' 65' ' ' LEU . 28.4 mm -66.81 -56.44 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 O-C-N 123.238 0.336 . . . . 0.0 110.492 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.14 -36.19 79.12 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.533 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.6 OUTLIER -73.71 -25.42 60.21 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.004 -177.678 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -29.47 45.15 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.754 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.566 HD13 ' O ' ' B' ' 61' ' ' ILE . 4.1 mp -91.57 -31.38 15.93 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 118.4 -1.32 . . . . 0.0 109.317 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.533 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 9.5 mmpt? 64.02 66.02 0.67 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 124.53 1.144 . . . . 0.0 109.418 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.727 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -79.68 -69.78 0.56 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.477 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -179.09 146.51 0.3 Allowed 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.6 m -75.4 -22.9 57.08 Favored 'General case' 0 N--CA 1.4 -2.937 0 O-C-N 123.905 0.753 . . . . 0.0 112.118 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -70.56 -46.22 63.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.61 -7.24 57.41 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.472 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -85.65 -27.57 25.31 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.4 m -92.63 -4.58 53.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.1 0.952 . . . . 0.0 109.902 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.3 24.97 11.2 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 25.1 mt -85.1 112.28 20.52 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.946 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -90.43 158.69 16.95 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.53 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.8 ttmt -51.63 -45.99 63.48 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.159 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.2 -43.97 27.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 70.4 mt -64.26 -50.59 75.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 85.3 mt -56.8 -51.6 68.3 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 121.068 0.461 . . . . 0.0 110.337 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.8 tt0 -64.73 -35.99 82.83 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.752 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.727 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 35.5 tpp -62.98 -41.0 99.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.516 0.674 . . . . 0.0 109.674 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -64.13 -41.2 97.3 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.145 -1.388 . . . . 0.0 110.463 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 40.2 t -71.43 -41.3 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.464 0.65 . . . . 0.0 110.115 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.9 mtmt -67.83 -40.48 83.76 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.732 -0.605 . . . . 0.0 110.591 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.429 ' HA ' ' ND2' ' B' ' 90' ' ' ASN . 86.4 t60 -67.54 -26.73 66.46 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.127 176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 19.4 tp -59.94 -47.65 84.93 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -37.18 86.3 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.669 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 73.5 m-20 -61.46 -47.04 87.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.595 0.559 . . . . 0.0 110.529 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.06 -30.88 67.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.095 0.474 . . . . 0.0 111.412 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -78.18 -15.04 59.2 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.1 OUTLIER -104.72 0.73 28.61 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 121.957 -0.464 . . . . 0.0 111.103 -176.271 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.18 53.79 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.741 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.6 ttm . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 120.476 0.179 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -88.37 148.92 43.58 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.988 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.27 149.06 56.68 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 122.464 2.109 . . . . 0.0 109.791 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -105.74 -61.12 1.54 Allowed 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.791 -0.763 . . . . 0.0 110.181 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 p -95.77 -39.48 9.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-O 121.499 0.666 . . . . 0.0 110.518 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.5 -176.82 6.11 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.8 m -81.04 -18.75 45.68 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.331 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 5.7 tp10 -84.28 79.2 9.62 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.646 0.736 . . . . 0.0 111.899 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -117.23 88.85 2.99 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 168.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HD2' ' OE1' ' A' ' 33' ' ' GLU . 10.2 ptm85 -116.7 115.86 26.44 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -168.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -163.83 149.1 10.76 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 168.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.8 m -129.99 76.25 1.71 Allowed 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.804 -0.759 . . . . 0.0 111.205 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 p -163.77 157.81 19.44 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.036 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 8.9 mmpt? -99.07 142.68 25.02 Favored Pre-proline 0 C--N 1.292 -1.895 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 2.3 Cg_endo -53.85 -39.47 84.19 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.319 2.012 . . . . 0.0 111.534 177.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 tt -71.17 -43.68 74.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 120.78 0.324 . . . . 0.0 111.35 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm -70.33 -39.26 74.85 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 pt-20 -74.18 -22.04 59.57 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.074 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -69.58 -42.1 74.94 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.69 -46.89 80.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 50' ' ' ILE . 33.7 ttm180 -56.79 -52.14 66.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.692 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' HA ' HD12 ' A' ' 50' ' ' ILE . 10.5 ptm180 -58.53 -38.16 77.18 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.71 -49.67 76.84 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -63.27 -39.34 94.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -58.38 -57.24 11.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.261 0 C-N-CA 123.043 0.537 . . . . 0.0 110.432 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.92 -44.49 97.13 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 69.7 mm-40 -58.14 -38.7 77.05 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.105 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 m -76.75 -39.13 52.76 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.851 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.39 -38.86 91.24 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 t -60.05 -56.01 26.87 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.08 -29.53 69.87 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.84 -58.57 7.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.746 0.818 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -62.48 -30.12 71.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 m -69.48 -55.47 10.14 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.657 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.07 -29.86 69.75 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 ' O ' HD12 ' A' ' 65' ' ' LEU . 23.9 mm -63.43 -50.65 77.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.17 0.509 . . . . 0.0 109.861 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -72.75 -24.0 60.9 Favored 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.346 -0.541 . . . . 0.0 109.673 -177.454 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -82.99 -34.35 26.38 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.18 -35.4 23.58 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.059 0.933 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 61' ' ' ILE . 13.1 mt -97.98 -29.03 13.52 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.509 -172.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 33.9 mtmt 48.22 71.4 0.35 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.683 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 67.4 mttm -77.11 -80.43 0.1 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.595 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.0 t70 -161.57 151.09 16.47 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.2 t -83.97 -28.57 27.68 Favored 'General case' 0 C--N 1.269 -2.932 0 O-C-N 124.023 0.827 . . . . 0.0 109.481 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 m -66.74 -49.93 64.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.832 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.458 ' O ' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -79.78 -13.16 59.63 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.744 -176.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.68 -38.85 75.86 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.708 0.766 . . . . 0.0 109.236 175.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -84.47 15.12 3.89 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.636 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -132.09 14.23 4.71 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.434 1.112 . . . . 0.0 109.469 176.25 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -85.31 126.68 33.92 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' O ' HD12 ' A' ' 80' ' ' ILE . 32.1 mt-10 -79.84 156.47 27.36 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 29.0 ttpt -50.28 -39.45 45.33 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.04 0.837 . . . . 0.0 112.607 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.73 76.31 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.933 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.8 -32.89 40.79 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.49 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 76' ' ' GLU . 2.3 mp -61.69 -51.21 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.4 mt -60.32 -49.67 76.69 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.005 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.704 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 25.3 tt0 -58.79 -38.98 79.75 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.278 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.683 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 50.6 tpp -64.41 -42.08 96.28 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.6 m -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.805 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.649 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 63.3 t -65.88 -54.39 27.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.905 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.704 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -56.24 -40.37 74.02 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.65 0.738 . . . . 0.0 110.997 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . 0.258 43.3 m-70 -75.09 -26.28 59.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.3 pp -72.29 -28.56 63.18 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 15.8 mmm-85 -66.11 -44.65 83.68 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.09 -55.27 35.04 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.339 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.05 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -39.73 95.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.946 0.403 . . . . 0.0 111.248 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.86 20.6 16.29 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.85 30.4 0.38 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.352 0.596 . . . . 0.0 110.156 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.435 ' H ' ' C ' ' A' ' 93' ' ' ARG . 28.3 mm-40 . . . . . 0 N--CA 1.426 -1.669 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttp 57.89 97.37 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 124.57 1.148 . . . . 0.0 110.945 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.01 125.59 17.69 Favored 'Trans proline' 0 C--O 1.251 1.129 0 C-N-CA 123.651 2.901 . . . . 0.0 113.893 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.21 85.11 2.14 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 176.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -138.26 -61.73 0.59 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 122.03 -0.419 . . . . 0.0 110.755 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.23 67.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 108.775 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 114.76 28.55 Favored 'General case' 0 N--CA 1.414 -2.242 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -47.4 -58.61 3.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.235 1.014 . . . . 0.0 112.307 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 72.2 m80 62.02 80.91 0.21 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.294 0.996 . . . . 0.0 109.359 -173.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -50.9 124.55 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.076 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 90.96 3.84 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.017 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -137.02 -17.84 1.37 Allowed 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.608 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.0 p -161.71 -166.48 1.49 Allowed 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 20.6 mmtp -104.36 120.51 50.45 Favored Pre-proline 0 N--CA 1.409 -2.525 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.49 -40.64 72.66 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 C-N-CA 123.493 2.796 . . . . 0.0 110.48 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.27 -42.7 91.32 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.206 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt -70.08 -40.88 74.74 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.6 pt-20 -77.47 -20.21 54.74 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.369 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -72.72 -43.49 62.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -63.45 -37.43 87.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.772 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.592 ' O ' HG13 ' B' ' 50' ' ' ILE . 41.4 ttt180 -59.88 -53.16 61.15 Favored 'General case' 0 C--O 1.202 -1.419 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.446 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.531 ' HA ' HD11 ' B' ' 50' ' ' ILE . 94.7 mtt180 -58.48 -42.63 87.98 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 123.372 0.42 . . . . 0.0 111.521 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.59 -49.16 75.73 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 123.624 0.578 . . . . 0.0 109.548 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.22 -27.54 64.55 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.417 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.592 HG13 ' O ' ' B' ' 46' ' ' ARG . 98.6 mt -59.7 -52.87 55.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 174.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.36 -43.03 92.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.63 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.6 mm-40 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -75.1 -41.43 58.66 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.53 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.14 -36.56 84.01 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -59.67 -57.95 10.7 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.754 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.9 -29.88 69.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.94 -58.9 6.37 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.012 0.925 . . . . 0.0 110.358 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -62.34 -33.06 73.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.891 0.376 . . . . 0.0 110.954 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 m -63.71 -56.32 16.59 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.982 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -27.47 60.71 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 10.4 mm -60.78 -55.5 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -75.22 -21.03 58.93 Favored 'General case' 0 C--O 1.191 -1.989 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.369 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.89 -30.84 67.32 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.587 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.22 25.38 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.357 0.599 . . . . 0.0 109.881 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 16.8 mt -93.27 -38.13 11.68 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.515 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 51.93 65.68 1.42 Allowed 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 124.587 1.155 . . . . 0.0 111.393 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.505 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 66.1 mttm -79.33 -70.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.595 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.579 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.8 t70 -162.05 134.2 5.64 Favored 'General case' 0 CA--C 1.476 -1.872 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -87.35 -15.64 37.32 Favored 'General case' 0 N--CA 1.406 -2.649 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' SER . . . . . 0.579 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 47.2 t -69.41 -51.27 38.1 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.443 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -73.46 -9.82 59.08 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.498 ' HA ' HD22 ' B' ' 75' ' ' LEU . 3.6 t-80 -63.02 -22.3 66.76 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -92.44 3.17 56.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.28 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 36.99 3.24 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 122.841 1.305 . . . . 0.0 108.469 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' B' ' 72' ' ' HIS . 0.7 OUTLIER -83.11 124.05 30.1 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.245 175.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -86.45 144.49 27.26 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 25.8 ttpt -55.36 -38.37 68.73 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.389 0.614 . . . . 0.0 111.551 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.76 76.21 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.132 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -78.95 -39.34 34.78 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.679 -175.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 75' ' ' LEU . 76.5 mt -61.75 -54.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.931 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 82.9 mt -58.3 -47.43 83.72 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 109.664 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.2 tt0 -62.19 -38.05 87.65 Favored 'General case' 0 C--O 1.203 -1.373 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.111 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.505 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 36.3 tpp -68.54 -32.02 71.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.613 0.72 . . . . 0.0 109.685 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 13.6 m -70.46 -42.11 71.89 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.801 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 59.7 t -69.75 -40.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 75.4 mttt -65.57 -33.05 75.0 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.229 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.471 ' CD2' HD22 ' B' ' 65' ' ' LEU . 14.3 t-80 -69.74 -30.25 67.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.807 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.506 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -64.98 -42.38 94.58 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.6 mmm180 -61.56 -48.83 79.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.51 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -55.29 -50.72 68.82 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' B' ' 87' ' ' HIS . 87.0 mt -63.12 -44.6 95.18 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.11 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.32 -21.35 66.21 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 6.5 ppt_? -111.66 5.62 19.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 122.02 0.914 . . . . 0.0 111.227 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.77 16.43 17.52 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.998 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.426 -1.675 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -177.769 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 66.94 89.36 0.1 OUTLIER Pre-proline 0 CA--C 1.512 -0.498 0 C-N-CA 125.554 1.542 . . . . 0.0 110.939 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.77 94.52 0.7 Allowed 'Trans proline' 0 N--CA 1.445 -1.363 0 C-N-CA 122.21 1.94 . . . . 0.0 109.891 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -107.81 -48.09 3.47 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.352 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -95.14 -42.86 8.37 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.345 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.04 -70.12 0.41 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 m 65.11 174.18 0.21 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.834 0.854 . . . . 0.0 112.412 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.35 72.43 0.52 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.38 1.072 . . . . 0.0 111.801 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -109.88 70.06 0.72 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 122.085 0.945 . . . . 0.0 110.886 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -161.07 26.77 0.14 Allowed 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -158.02 133.48 8.91 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.864 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t -151.77 104.39 3.02 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -176.97 -170.35 0.3 Allowed 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 125.113 1.365 . . . . 0.0 107.502 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -104.78 120.19 51.01 Favored Pre-proline 0 N--CA 1.434 -1.23 0 CA-C-N 118.26 0.482 . . . . 0.0 111.516 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.58 -36.12 77.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.08 2.52 . . . . 0.0 111.964 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.7 tt -69.46 -43.92 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.447 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.3 mmm -66.46 -43.8 84.53 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.604 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.24 -15.03 56.79 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.521 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.45 -41.88 75.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.19 -45.55 87.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.446 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 ttp180 -58.53 -49.16 78.42 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.401 175.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 50' ' ' ILE . 77.8 ttt180 -56.79 -37.49 71.21 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.154 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.65 -43.63 98.49 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.3 -31.42 72.57 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.779 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 47' ' ' ARG . 81.5 mt -61.47 -53.12 52.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -61.35 -43.45 98.85 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 63.2 mt-10 -55.56 -49.02 73.82 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.076 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -73.85 -44.22 56.2 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.522 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.14 -41.51 97.16 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -62.25 -49.86 74.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.197 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -73.6 -25.05 60.15 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.814 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.84 -59.22 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 123.657 0.783 . . . . 0.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -62.0 -36.67 82.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -54.73 36.46 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.181 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.63 -31.65 68.67 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' CD2' ' A' ' 87' ' ' HIS . 12.4 mm -62.88 -43.07 98.67 Favored 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-O 122.386 1.088 . . . . 0.0 110.309 174.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -71.53 -38.17 71.09 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.257 -179.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.552 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 5.2 t70 -78.3 -25.28 46.53 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.036 0.446 . . . . 0.0 112.182 -176.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.58 67.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 87' ' ' HIS . 7.3 mp -102.32 -28.73 12.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 117.854 -1.538 . . . . 0.0 113.245 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 25.0 mtmt 54.97 65.8 1.4 Allowed 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 122.759 1.266 . . . . 0.0 110.57 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' HD2' ' HB2' ' A' ' 65' ' ' LEU . 2.9 mppt? -79.97 -72.62 0.39 Allowed 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 112.794 -2.003 . . . . 0.0 109.915 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.552 ' HB2' ' CG ' ' A' ' 71' ' ' ARG . 7.6 m-20 -153.74 150.92 29.02 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.418 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -86.9 -29.45 22.13 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 t -61.64 -53.03 61.64 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.089 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.63 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -67.76 -32.44 73.03 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.347 177.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.499 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 11.8 t-160 -58.36 -46.5 86.17 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.551 0.532 . . . . 0.0 111.076 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 p -85.6 4.21 37.23 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.445 0.64 . . . . 0.0 112.35 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -126.72 18.03 7.39 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.476 1.131 . . . . 0.0 108.192 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 15.9 mt -71.51 115.04 10.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.421 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -77.94 149.68 34.14 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.9 ttmt -49.98 -47.5 52.77 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.73 -31.43 72.42 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.286 0.565 . . . . 0.0 111.251 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.02 -35.36 66.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.068 0.937 . . . . 0.0 108.879 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.541 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.7 mt -66.96 -49.55 72.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.525 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.527 ' O ' HG21 ' A' ' 85' ' ' VAL . 52.9 mt -59.96 -50.71 72.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.91 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.5 tt0 -59.75 -36.86 77.49 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.314 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.24 -39.69 93.04 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 m -66.95 -41.43 86.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.4 t -67.66 -49.65 68.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 109.93 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.5 mttm -61.7 -38.67 88.73 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.171 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.456 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 m-70 -66.21 -32.8 74.46 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.8 pp -66.97 -40.09 87.37 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.494 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -66.76 -34.39 77.73 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.67 178.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 87' ' ' HIS . 78.3 m-20 -55.33 -50.85 68.56 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.601 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 76.2 mt -62.75 -45.21 93.76 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 3.6 mm-40 -61.3 -21.16 63.7 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -115.22 -8.25 12.36 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.829 -0.748 . . . . 0.0 112.15 -176.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.31 -5.51 15.23 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.601 ' HG2' ' O ' ' A' ' 91' ' ' LEU . 8.3 mm-40 . . . . . 0 C--O 1.246 0.891 0 C-N-CA 118.1 -1.44 . . . . 0.0 107.249 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -113.93 105.03 54.86 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -87.3 40.94 0.68 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.44 2.76 . . . . 0.0 111.66 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 70.6 -57.85 0.57 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.1 1.36 . . . . 0.0 113.085 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.9 p -115.02 -65.54 1.18 Allowed 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.91 86.22 0.52 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -165.08 17.26 0.05 OUTLIER 'General case' 0 C--O 1.255 1.393 0 C-N-CA 125.542 1.537 . . . . 0.0 109.783 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -175.46 147.87 0.89 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -100.89 130.94 46.97 Favored 'General case' 0 C--O 1.255 1.367 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.396 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 160.85 43.31 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.025 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -137.19 116.95 13.07 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.442 ' HB2' ' HB3' ' B' ' 43' ' ' GLU . 44.7 m -157.17 138.37 13.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 12.1 p -92.73 -21.46 19.94 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 122.053 0.93 . . . . 0.0 108.977 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -89.83 118.11 68.67 Favored Pre-proline 0 N--CA 1.417 -2.123 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.66 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -69.6 -29.13 25.15 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.269 1.979 . . . . 0.0 110.39 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.17 -41.55 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.776 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm -70.07 -40.17 75.21 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.529 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 14.2 pt-20 -71.82 -29.91 64.93 Favored 'General case' 0 C--O 1.2 -1.539 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.633 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -65.48 -46.96 77.73 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -58.99 -48.57 81.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.321 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.501 ' O ' HG13 ' B' ' 50' ' ' ILE . 34.6 ttm180 -62.72 -49.54 74.65 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.02 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 91.9 mtt180 -54.56 -48.01 72.57 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.714 0.406 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.25 82.42 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 123.483 0.489 . . . . 0.0 109.996 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -56.96 -42.35 80.0 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.501 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.4 mt -60.38 -58.72 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.085 0.554 . . . . 0.0 111.072 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -60.43 -42.87 96.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.127 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -71.7 -28.14 63.5 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -77.0 -31.9 56.79 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.483 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 5.0 tt -74.33 -37.25 63.61 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 123.417 0.687 . . . . 0.0 109.424 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -69.8 -44.39 70.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.71 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -66.53 -31.48 72.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.432 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.445 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.8 tt -59.48 -58.6 7.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.75 1.22 . . . . 0.0 110.734 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.571 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -61.57 -30.63 70.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.571 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 92.8 m -66.14 -52.03 52.34 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.648 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.67 -33.71 71.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.371 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.669 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.8 mm -63.44 -53.33 46.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 O-C-N 123.474 0.484 . . . . 0.0 110.793 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' B' ' 72' ' ' HIS . 2.1 tm? -62.08 -38.06 87.39 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.82 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.596 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 58.2 m-20 -73.6 -25.76 60.49 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.74 -22.65 31.88 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.636 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 17.0 mt -95.27 -38.08 10.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.326 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.596 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 11.1 mmpt? 61.2 61.98 1.47 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.855 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.53 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -86.07 -79.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.126 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.427 ' HB2' ' HE ' ' B' ' 71' ' ' ARG . 24.8 m-20 -157.85 149.64 21.87 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' B' ' 72' ' ' HIS . 16.5 p -87.15 -23.48 24.82 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.283 0.563 . . . . 0.0 111.272 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 54.7 m -69.11 -43.79 73.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 12.8 ptp180 -63.32 -38.07 89.72 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' B' ' 69' ' ' SER . 28.4 t-80 -52.32 -38.63 59.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.096 0.959 . . . . 0.0 111.11 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.5 t -85.45 1.41 48.89 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.727 0.775 . . . . 0.0 110.877 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -34.95 7.04 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 47.3 mt -33.27 109.04 0.06 Allowed 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 126.061 2.1 . . . . 0.0 114.22 -173.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.596 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 41.1 mt-10 -92.47 170.57 9.66 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.888 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.442 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.1 ttmt -56.78 -45.95 81.81 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.06 72.43 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.384 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.596 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 3.0 m-20 -74.48 -52.16 12.76 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 122.078 0.942 . . . . 0.0 108.652 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.427 HG22 ' HB3' ' B' ' 58' ' ' LYS . 83.2 mt -55.72 -52.13 51.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 113.34 -1.754 . . . . 0.0 111.671 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.0 mp -54.21 -52.73 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 123.497 0.498 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 24.1 tt0 -64.35 -36.92 85.71 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.544 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.53 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 23.9 tpp -63.87 -35.63 81.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.149 0.976 . . . . 0.0 109.321 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -74.03 -42.82 59.73 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.583 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 81' ' ' LEU . 76.3 t -64.24 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.264 0.554 . . . . 0.0 109.6 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 72.4 mttt -63.25 -37.47 87.36 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -70.61 -26.92 63.72 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.478 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.79 -38.0 79.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.9 mmt180 -61.01 -48.96 79.39 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.671 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.03 -55.4 31.38 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.473 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.66 -33.87 76.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.875 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' B' ' 95' ' ' GLN . 0.0 OUTLIER -113.37 -1.05 14.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.3 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.47 28.0 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.454 0.702 . . . . 0.0 110.682 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . 0.43 ' H ' ' C ' ' B' ' 93' ' ' ARG . 23.4 mm-40 . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -138.44 112.09 8.48 Favored Pre-proline 0 C--O 1.244 0.797 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.51 139.83 26.17 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.996 1.798 . . . . 0.0 110.926 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -102.36 88.25 3.24 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-O 121.841 0.829 . . . . 0.0 109.793 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.4 m -144.0 99.88 3.47 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 74.4 -46.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.425 1.49 . . . . 0.0 112.163 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m 64.46 101.43 0.04 OUTLIER 'General case' 0 C--O 1.241 0.642 0 CA-C-O 122.471 1.129 . . . . 0.0 113.974 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -24.28 39.35 Favored 'General case' 0 N--CA 1.424 -1.758 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.702 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -71.1 121.57 18.53 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 172.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -92.93 87.56 5.84 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.986 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -103.47 103.98 14.01 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -82.33 98.13 8.67 Favored 'General case' 0 C--N 1.271 -2.828 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.519 -174.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.0 m -124.81 63.56 1.13 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 9.8 mmpt? -105.49 118.55 55.33 Favored Pre-proline 0 N--CA 1.417 -2.076 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.302 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 27.3 Cg_endo -63.98 -40.19 28.77 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.748 2.298 . . . . 0.0 110.102 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 10.2 tt -66.47 -45.37 89.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.024 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.9 mmm -67.85 -39.73 83.76 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.16 -21.43 50.23 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.241 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 40' ' ' PRO . 52.1 mtmt -74.12 -38.85 63.68 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.449 -0.501 . . . . 0.0 109.88 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 66.0 mtp180 -64.86 -44.76 88.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.789 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.4 ttm180 -59.51 -55.52 33.51 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.275 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HA ' HD11 ' A' ' 50' ' ' ILE . 29.9 mtm180 -54.42 -43.33 71.44 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.592 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.69 -54.68 43.38 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.496 0.497 . . . . 0.0 109.975 176.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' CB ' ' HB3' ' B' ' 78' ' ' ALA . 60.0 mtp180 -61.22 -34.16 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.09 -55.51 23.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -61.17 -46.4 90.64 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.713 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 17.8 mm-40 -58.53 -48.0 82.3 Favored 'General case' 0 C--O 1.249 1.067 0 O-C-N 123.565 0.541 . . . . 0.0 111.948 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 m -76.89 -36.94 56.36 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.9 tt -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.57 0.7 . . . . 0.0 109.445 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.8 m -66.51 -45.74 78.55 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.451 -178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.37 -30.44 68.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.7 -56.94 15.04 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.22 1.008 . . . . 0.0 110.522 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.06 -36.02 80.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.187 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.7 m -66.94 -47.85 70.4 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.447 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -34.99 75.14 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.436 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mm -63.49 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--O 1.29 3.212 0 CA-C-O 122.089 0.947 . . . . 0.0 110.795 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' HD2' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -60.94 -51.29 69.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.269 -179.141 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.765 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 20.6 t70 -69.83 -42.82 73.11 Favored 'General case' 0 C--O 1.169 -3.137 0 O-C-N 124.183 0.927 . . . . 0.0 111.4 -177.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.541 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -54.16 -31.54 52.87 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 120.817 0.342 . . . . 0.0 111.746 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 65' ' ' LEU . 6.6 mp -115.58 -8.53 12.11 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.12 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.765 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 36.7 mmtt 58.69 56.49 4.17 Favored 'General case' 0 CA--C 1.491 -1.324 0 C-N-CA 124.416 1.086 . . . . 0.0 110.309 175.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' HD2' HD23 ' A' ' 62' ' ' LEU . 47.6 mttp -62.93 -82.88 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 113.486 -1.688 . . . . 0.0 112.029 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -179.08 142.97 0.2 Allowed 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 p -78.7 -18.39 54.4 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.354 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -43.21 66.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.582 ' NH1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -80.63 -3.21 49.64 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -84.66 -22.27 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 170.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.2 t -90.74 -25.99 19.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.356 1.074 . . . . 0.0 109.423 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 35.4 2.76 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.634 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.712 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 7.0 tp -101.41 102.66 13.5 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.953 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -79.27 153.09 30.17 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.85 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.557 ' HB2' ' HZ2' ' A' ' 77' ' ' LYS . 2.7 ttmp? -51.78 -47.81 64.02 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.44 71.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' ' 83' ' ' MET . 16.3 t70 -76.05 -35.79 59.3 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.712 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.1 mt -67.25 -52.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.923 -1.489 . . . . 0.0 110.979 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.588 ' O ' HG22 ' A' ' 85' ' ' VAL . 72.8 mt -60.03 -52.63 64.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.6 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 9.0 tt0 -55.98 -39.9 72.51 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.711 0.632 . . . . 0.0 112.012 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.536 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 36.4 tpp -62.25 -52.59 63.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -173.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -61.06 -46.49 90.44 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 81' ' ' LEU . 57.7 t -63.81 -45.51 96.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-O 121.909 0.861 . . . . 0.0 110.595 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 79.7 mttt -72.29 -23.96 61.27 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-O 121.711 0.767 . . . . 0.0 111.426 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.16 -26.04 55.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.024 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.1 tt -61.78 -43.54 98.65 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 4.6 mmt180 -60.37 -45.7 92.58 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.837 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 85.7 m-20 -59.67 -41.73 91.32 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.562 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -38.41 61.31 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.208 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.24 -19.67 64.75 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.58 -11.98 44.0 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.251 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.06 -21.96 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.184 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.419 HE22 HD21 ' B' ' 91' ' ' LEU . 20.2 mt-30 . . . . . 0 C--N 1.3 -1.556 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.845 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 CA--C 1.503 -0.853 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -153.34 153.69 29.67 Favored Pre-proline 0 C--N 1.301 -1.527 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.57 -51.1 10.65 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.966 2.444 . . . . 0.0 112.812 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.9 142.33 45.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.77 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p 64.3 22.33 12.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.442 1.497 . . . . 0.0 112.408 -174.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.12 157.06 17.93 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 173.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -52.38 126.16 18.34 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 123.761 0.663 . . . . 0.0 111.146 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -81.83 16.82 1.69 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.36 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 m80 74.95 126.95 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.464 1.506 . . . . 0.0 113.442 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 53.01 68.49 0.83 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.766 1.226 . . . . 0.0 110.122 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.528 ' HG2' ' OE1' ' B' ' 43' ' ' GLU . 24.0 tptm -132.73 105.23 7.04 Favored 'General case' 0 N--CA 1.409 -2.506 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.076 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 43.8 m 65.92 -76.44 0.05 OUTLIER 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.257 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -165.92 -68.77 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.375 0.607 . . . . 0.0 109.661 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.8 mmpt? -99.07 135.21 20.9 Favored Pre-proline 0 C--N 1.287 -2.112 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.649 -175.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -54.42 -45.12 43.32 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 123.394 2.729 . . . . 0.0 111.418 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.6 -40.83 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.339 0.59 . . . . 0.0 111.009 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -69.68 -38.0 76.85 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.621 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.528 ' OE1' ' HG2' ' B' ' 36' ' ' LYS . 1.0 OUTLIER -67.29 -36.49 81.64 Favored 'General case' 0 C--O 1.19 -2.055 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -67.67 -42.01 82.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 123.781 0.675 . . . . 0.0 112.099 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -59.18 -49.28 78.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.696 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.547 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.4 ttm180 -68.39 -45.68 72.04 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.342 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.5 ttt180 -56.57 -44.71 81.26 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.106 1.363 . . . . 0.0 110.617 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.597 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -55.8 -52.93 62.27 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.758 0.661 . . . . 0.0 109.314 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -63.15 -32.97 74.48 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.889 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.8 mt -59.9 -55.78 21.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -60.8 -45.17 95.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.744 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 17.6 mm-40 -59.27 -43.08 92.51 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.946 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 29.7 m -77.33 -33.51 55.47 Favored 'General case' 0 N--CA 1.418 -2.053 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.468 -178.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.0 tt -72.48 -35.4 68.18 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -176.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.3 p -69.64 -46.45 66.14 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.039 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -68.94 -31.15 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.116 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -53.06 -59.45 4.52 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.283 1.433 . . . . 0.0 107.607 175.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.431 ' C ' ' HD2' ' B' ' 58' ' ' LYS . 4.1 tmmm? -59.17 -45.72 90.27 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.132 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 51.5 m -59.31 -51.4 70.12 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 123.447 0.467 . . . . 0.0 112.032 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.59 -38.29 83.81 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.273 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.406 ' O ' HD12 ' B' ' 65' ' ' LEU . 29.5 mm -65.44 -36.4 77.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 122.052 0.93 . . . . 0.0 111.236 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -42.71 72.59 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.303 -0.873 . . . . 0.0 109.234 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.619 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 8.6 t70 -77.6 -30.5 52.46 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.43 -30.69 53.55 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.668 -0.645 . . . . 0.0 111.312 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.406 HD12 ' O ' ' B' ' 61' ' ' ILE . 6.0 mp -100.02 -32.31 11.01 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.927 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.619 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.0 mtmt 50.1 69.72 0.58 Allowed 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 123.083 1.421 . . . . 0.0 111.992 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -81.63 -75.41 0.29 Allowed 'General case' 0 N--CA 1.414 -2.233 0 CA-C-N 112.049 -2.341 . . . . 0.0 111.86 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 179.84 155.16 0.57 Allowed 'General case' 0 CA--C 1.473 -1.994 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.5 m -84.42 -20.3 32.04 Favored 'General case' 0 N--CA 1.408 -2.56 0 O-C-N 123.859 0.724 . . . . 0.0 111.721 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 16.4 m -67.75 -49.78 60.7 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -3.79 43.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -84.13 -31.43 25.22 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 171.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -86.8 -4.7 59.21 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 122.472 1.129 . . . . 0.0 109.886 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.06 21.72 11.72 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 123.258 1.504 . . . . 0.0 107.143 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.568 ' HG ' ' CG1' ' B' ' 80' ' ' ILE . 10.9 tp -99.41 98.22 9.17 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.147 -1.388 . . . . 0.0 107.474 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -86.56 163.66 17.34 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.746 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.481 ' O ' HD12 ' B' ' 81' ' ' LEU . 27.2 ttpt -51.13 -42.17 60.55 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 111.62 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.42 ' HB3' ' CB ' ' A' ' 49' ' ' ARG . . . -58.92 -37.8 77.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.485 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.416 ' HB3' HD11 ' B' ' 75' ' ' LEU . 4.9 m-20 -76.06 -50.87 13.55 Favored 'General case' 0 CA--C 1.487 -1.445 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.869 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.568 ' CG1' ' HG ' ' B' ' 75' ' ' LEU . 70.8 mt -51.72 -48.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.721 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG22 ' B' ' 85' ' ' VAL . 5.1 mp -55.65 -53.44 56.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.719 0.408 . . . . 0.0 111.423 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 8.4 tt0 -60.54 -39.07 86.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.403 ' HA ' ' HE1' ' B' ' 83' ' ' MET . 0.1 OUTLIER -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.419 0.628 . . . . 0.0 110.155 -173.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.486 HG22 ' CD2' ' B' ' 57' ' ' LEU . 14.5 m -77.52 -40.07 44.0 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.159 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 56.3 t -67.57 -38.03 79.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.84 0.829 . . . . 0.0 109.018 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.8 mttt -68.27 -35.7 78.28 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.077 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.42 ' NE2' HD12 ' B' ' 91' ' ' LEU . 77.3 t60 -67.91 -26.72 66.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.496 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 29.1 tp -66.13 -42.45 89.09 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 6.7 mmt180 -59.8 -46.55 88.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.29 -50.98 71.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.374 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.42 HD12 ' NE2' ' B' ' 87' ' ' HIS . 85.8 mt -72.21 -27.4 62.52 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -70.24 -29.17 65.91 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 4.2 ppt_? -117.96 13.37 13.95 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.73 -40.2 79.05 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.303 1.049 . . . . 0.0 110.142 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' B' ' 95' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.28 -2.451 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.33 175.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm 70.02 117.84 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.406 1.082 . . . . 0.0 113.808 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.58 95.79 1.02 Allowed 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 121.985 1.79 . . . . 0.0 108.749 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -89.7 -73.57 0.51 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 t -178.21 14.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.22 112.61 7.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.387 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -91.6 102.42 15.06 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.97 106.21 3.57 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.824 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -92.6 -79.69 0.39 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.335 -172.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -115.31 -45.21 2.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.685 0.755 . . . . 0.0 109.099 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -93.49 82.04 4.4 Favored 'General case' 0 N--CA 1.41 -2.462 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -81.38 -4.76 56.7 Favored 'General case' 0 C--N 1.258 -3.373 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.448 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 m 60.95 23.7 13.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.086 0.954 . . . . 0.0 110.995 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -84.93 111.01 32.44 Favored Pre-proline 0 N--CA 1.418 -2.074 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.54 -37.24 81.89 Favored 'Trans proline' 0 CA--C 1.506 -0.91 0 C-N-CA 123.405 2.737 . . . . 0.0 111.168 -173.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.2 tt -77.36 -44.98 30.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.446 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.05 -42.1 85.37 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 120.563 0.221 . . . . 0.0 111.51 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 pt-20 -73.72 -25.99 60.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.436 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -73.55 -40.9 63.61 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -60.21 -42.12 94.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.286 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.499 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.93 -46.26 68.71 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.38 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HA ' HD11 ' A' ' 50' ' ' ILE . 42.4 ttm180 -62.58 -39.74 94.68 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 123.807 0.843 . . . . 0.0 112.124 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.63 -48.73 80.51 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -61.36 -39.31 90.16 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 124.069 0.855 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.2 mt -59.12 -53.93 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 122.742 0.417 . . . . 0.0 111.157 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -65.77 -45.81 81.11 Favored 'General case' 0 CA--C 1.477 -1.837 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 9.2 pt-20 -66.52 -37.8 85.8 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 123.75 0.657 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -70.17 -48.67 56.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -60.26 -37.67 81.15 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 109.722 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.3 m -69.3 -42.39 75.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.214 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.43 -29.48 61.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.714 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.9 tm? -52.5 -59.08 4.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.617 1.967 . . . . 0.0 109.183 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -64.4 -36.4 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.967 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.0 m -61.16 -53.03 62.06 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.037 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -34.47 78.39 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 37.8 mm -64.83 -51.49 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.993 0.425 . . . . 0.0 110.631 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -23.55 62.35 Favored 'General case' 0 C--O 1.199 -1.57 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.22 -29.93 31.09 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.88 0.371 . . . . 0.0 111.595 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.14 27.96 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.652 HD22 ' CD2' ' A' ' 87' ' ' HIS . 20.2 mt -99.68 -34.39 10.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.069 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt 53.41 45.16 28.92 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.962 0.905 . . . . 0.0 111.927 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.58 -70.19 0.24 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.584 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 35.2 t70 -167.49 137.19 2.77 Favored 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.6 p -86.91 -19.76 28.37 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-O 121.34 0.59 . . . . 0.0 111.741 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.584 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 49.6 m -69.94 -44.57 69.29 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.471 HH11 ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -75.87 -12.98 60.26 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.891 -0.506 . . . . 0.0 110.512 176.214 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.489 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 11.2 t-160 -77.3 -18.14 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.817 0.818 . . . . 0.0 108.829 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -92.54 2.3 56.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.636 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -135.03 21.61 3.49 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.919 1.343 . . . . 0.0 107.796 177.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -90.21 106.05 18.23 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.443 177.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.31 160.16 28.02 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.633 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.601 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.6 ttmp? -48.82 -46.88 42.56 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.557 0.743 . . . . 0.0 111.965 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.47 -35.83 76.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.559 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -79.68 -36.63 37.37 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.891 -171.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.97 -47.07 89.61 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.802 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 69.6 mt -57.94 -48.85 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 30.7 tt0 -59.83 -41.07 90.52 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.781 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 tpp -63.79 -35.08 79.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.728 0.775 . . . . 0.0 109.02 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.475 HG23 ' CD2' ' A' ' 57' ' ' LEU . 8.4 m -72.45 -43.81 63.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.325 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 81' ' ' LEU . 50.6 t -62.24 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.474 0.654 . . . . 0.0 109.844 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.2 mtmt -63.21 -44.06 96.37 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.652 ' CD2' HD22 ' A' ' 65' ' ' LEU . 11.8 t-160 -66.47 -28.91 68.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.06 178.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.32 -45.69 92.09 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -69.51 -29.8 67.5 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.745 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 93.5 m-20 -62.57 -44.09 97.2 Favored 'General case' 0 CA--C 1.49 -1.344 0 CA-C-O 121.054 0.454 . . . . 0.0 110.29 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.41 -43.89 76.21 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.412 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.67 -24.78 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 5.4 ppt_? -89.04 -8.53 53.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.986 0.422 . . . . 0.0 111.501 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.93 -11.24 59.81 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.822 0.82 . . . . 0.0 110.851 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 . . . . . 0 N--CA 1.418 -2.057 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.582 -175.78 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 17.2 tpt . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 119.799 -0.144 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.69 85.34 0.15 Allowed Pre-proline 0 C--N 1.347 0.458 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -62.53 111.04 1.2 Allowed 'Trans proline' 0 C--O 1.239 0.573 0 C-N-CA 122.723 2.282 . . . . 0.0 113.57 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -144.68 -66.0 0.34 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -158.09 134.09 9.25 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.53 87.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 111.378 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.8 p -89.76 36.47 0.85 Allowed 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.213 0.53 . . . . 0.0 110.212 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' B' ' 34' ' ' HIS . 8.3 pt-20 -57.37 -52.36 65.67 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.077 0.951 . . . . 0.0 112.598 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . 0.452 ' N ' ' HG3' ' B' ' 33' ' ' GLU . 58.8 m80 -111.05 164.61 12.65 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 66.32 86.05 0.14 Allowed 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -169.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -65.54 102.11 0.68 Allowed 'General case' 0 CA--C 1.492 -1.257 0 CA-C-O 122.598 1.19 . . . . 0.0 109.593 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.5 p -111.96 8.09 20.15 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.671 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m 66.96 -169.51 0.2 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.428 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -105.47 122.86 41.37 Favored Pre-proline 0 C--N 1.29 -2.0 0 O-C-N 121.469 -0.769 . . . . 0.0 110.768 176.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.427 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 23.0 Cg_endo -61.67 -37.03 71.81 Favored 'Trans proline' 0 CA--C 1.511 -0.657 0 C-N-CA 123.533 2.822 . . . . 0.0 111.373 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.592 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 10.0 tt -71.68 -45.61 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.806 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 24.7 mmt -65.33 -41.44 93.94 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.29 -27.4 64.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -75.98 -37.16 58.84 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 62.8 mtp180 -64.73 -42.24 95.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.314 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.587 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.7 ttm180 -60.59 -53.01 62.68 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.496 ' HA ' HD13 ' B' ' 50' ' ' ILE . 39.3 ttm180 -52.69 -47.71 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.804 1.242 . . . . 0.0 111.562 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.29 -50.62 72.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.016 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -61.98 -31.83 72.23 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.32 0.387 . . . . 0.0 111.781 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.587 HG13 ' O ' ' B' ' 46' ' ' ARG . 88.5 mt -60.46 -52.63 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -61.17 -48.14 82.95 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 25.7 mm-40 -60.52 -41.23 93.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.2 m -77.32 -35.97 54.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.973 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' B' ' 50' ' ' ILE . 1.0 OUTLIER -72.05 -35.46 69.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.488 0.661 . . . . 0.0 109.381 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.0 p -69.87 -49.68 49.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.299 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.82 -32.98 74.92 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.731 0.301 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.48 HD23 ' OG1' ' B' ' 84' ' ' THR . 7.8 tt -58.08 -58.5 8.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.73 -43.8 65.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.639 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.2 m -59.31 -55.41 35.17 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.585 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.03 -32.44 67.13 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.481 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.7 mm -68.62 -50.41 56.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.39 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.93 -25.11 66.99 Favored 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.87 -32.45 61.89 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 -38.55 21.0 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 121.075 0.464 . . . . 0.0 109.978 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 13.9 mt -88.2 -38.25 15.44 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 120.211 -0.595 . . . . 0.0 109.923 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 49.78 68.31 0.76 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.713 1.258 . . . . 0.0 111.178 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.594 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 93.2 mttt -66.32 -57.11 8.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.777 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 t70 177.44 151.91 0.22 Allowed 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -82.74 -28.17 30.62 Favored 'General case' 0 N--CA 1.399 -2.994 0 O-C-N 123.617 0.573 . . . . 0.0 110.248 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.2 m -70.96 -36.06 72.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.382 0.61 . . . . 0.0 110.222 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -6.56 58.58 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -70.47 -22.71 62.64 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 21.5 m -88.29 14.98 8.31 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.489 0.661 . . . . 0.0 110.879 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.606 ' HE2' ' O ' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -143.64 84.47 1.8 Allowed 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -122.82 121.98 37.55 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 121.608 0.718 . . . . 0.0 110.684 177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.448 ' O ' HG13 ' B' ' 80' ' ' ILE . 33.8 mt-10 -90.81 149.44 21.98 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.579 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 ttmt -52.62 -45.0 66.41 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.172 0.51 . . . . 0.0 110.671 177.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -30.28 69.99 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.303 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 83' ' ' MET . 11.2 t70 -76.97 -41.28 43.66 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 76' ' ' GLU . 53.6 mt -64.94 -51.86 61.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.046 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 86.6 mt -56.0 -49.28 74.08 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 124.043 0.839 . . . . 0.0 109.571 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.5 tt0 -61.67 -39.26 90.76 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.377 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.594 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 72.8 mtm -56.89 -45.96 82.23 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.48 ' OG1' HD23 ' B' ' 57' ' ' LEU . 0.1 OUTLIER -59.11 -48.72 80.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.406 178.401 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.51 HG22 ' O ' ' B' ' 81' ' ' LEU . 40.2 t -64.41 -44.51 97.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.894 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -67.28 -39.38 86.04 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 122.057 -0.402 . . . . 0.0 111.273 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 6.0 tt -60.96 -46.41 90.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -58.05 -46.49 85.28 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -55.68 -51.68 66.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.198 0.936 . . . . 0.0 111.075 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.553 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -72.86 -14.45 61.5 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.788 0.328 . . . . 0.0 111.716 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 11.17 14.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 0.0 109.994 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.28 27.95 3.07 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.259 1.597 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -176.104 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 CA--C 1.502 -0.866 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.68 155.63 65.22 Favored Pre-proline 0 C--N 1.311 -1.076 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.23 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.153 2.569 . . . . 0.0 111.762 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 8.4 mtpm? -85.51 26.28 0.95 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.251 -178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -64.01 -27.29 69.02 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.34 83.72 5.51 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 m -69.15 -15.15 63.35 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.3 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.94 -30.64 71.72 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.287 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -94.12 98.43 10.98 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -77.5 163.18 26.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.231 0.538 . . . . 0.0 111.365 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.71 107.54 7.5 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -80.41 -175.57 5.22 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.724 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 m 71.9 179.55 0.23 Allowed 'General case' 0 C--O 1.251 1.157 0 C-N-CA 124.078 0.951 . . . . 0.0 111.427 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -97.28 126.08 43.18 Favored Pre-proline 0 N--CA 1.422 -1.842 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.43 178.416 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 12.5 Cg_endo -58.38 -36.07 97.98 Favored 'Trans proline' 0 C--O 1.209 -0.973 0 C-N-CA 123.145 2.563 . . . . 0.0 112.167 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -73.86 -45.25 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.806 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm -66.31 -44.06 84.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.61 -18.94 59.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.261 -178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 39.4 ttpt -70.69 -43.25 69.44 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -62.96 -41.16 99.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.366 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.531 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.5 ttp180 -60.77 -54.2 48.04 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.224 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.8 ttp180 -58.8 -39.03 79.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.792 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -60.81 -46.75 89.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -60.36 -37.12 79.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.779 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 46' ' ' ARG . 79.3 mt -55.26 -56.87 9.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -59.18 -45.91 89.8 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.633 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 23.7 mm-40 -59.0 -37.99 78.15 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.8 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m -76.45 -44.13 36.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.459 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.41 -36.95 85.5 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.209 0.528 . . . . 0.0 109.738 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -61.22 -50.96 70.96 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.378 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -72.97 -29.17 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.54 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -58.49 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.117 0.967 . . . . 0.0 110.145 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -60.82 -35.5 76.66 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.156 0.285 . . . . 0.0 111.168 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.47 -52.97 59.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.404 0.44 . . . . 0.0 111.07 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.55 -32.19 69.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.52 -52.05 45.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.276 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.91 -33.19 72.76 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.599 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 1.3 t70 -80.78 -28.34 36.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.343 -176.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.18 -34.33 37.6 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 118.857 -1.137 . . . . 0.0 111.174 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.528 HD11 ' N ' ' A' ' 65' ' ' LEU . 4.7 mp -92.57 -24.27 18.78 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.425 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 9.7 mmpt? 59.18 64.06 1.46 Allowed 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 109.803 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 70.0 mmtt -71.47 -78.99 0.07 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 112.825 -1.988 . . . . 0.0 111.273 -177.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.95 153.23 0.62 Allowed 'General case' 0 CA--C 1.466 -2.286 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -77.01 -28.83 55.15 Favored 'General case' 0 N--CA 1.403 -2.822 0 O-C-N 123.771 0.669 . . . . 0.0 111.236 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 t -70.12 -40.75 74.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.62 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -82.05 -3.16 53.99 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -178.389 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -78.4 -40.76 35.09 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 170.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -83.31 -1.14 52.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.86 1.314 . . . . 0.0 110.46 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.526 ' HA ' ' HZ3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -122.64 58.95 1.06 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 122.86 1.314 . . . . 0.0 107.587 175.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 13.8 mt -121.66 108.03 13.06 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 112.718 -2.037 . . . . 0.0 110.182 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.8 152.19 31.51 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.0 ttmt -49.0 -44.5 41.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.36 0.6 . . . . 0.0 112.222 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -28.87 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.198 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 -34.8 42.14 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 121.91 0.862 . . . . 0.0 108.699 -174.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 53.3 mt -72.68 -50.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.251 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.534 ' O ' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -57.55 -52.93 63.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.052 0.453 . . . . 0.0 110.049 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.542 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 22.4 tt0 -60.5 -35.49 76.06 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.289 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.484 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 2.1 tpt -69.18 -33.6 73.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.672 0.748 . . . . 0.0 109.818 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.1 m -72.22 -42.3 65.91 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.728 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.736 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.2 t -68.65 -43.58 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.729 0.776 . . . . 0.0 109.923 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.2 mttt -67.13 -30.33 70.3 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 121.972 -0.455 . . . . 0.0 111.348 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -72.14 -29.52 64.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.264 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.6 pp -66.84 -35.42 80.01 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.306 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -58.75 -47.59 84.14 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.12 -52.17 65.31 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 123.981 0.8 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.5 mt -70.92 -21.32 62.38 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -75.53 -40.34 57.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 118.013 0.37 . . . . 0.0 110.777 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.91 6.73 40.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.061 0.458 . . . . 0.0 112.009 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.11 -7.38 55.67 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 111.149 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.891 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HB3' ' HZ3' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -71.75 153.58 93.2 Favored Pre-proline 0 C--O 1.247 0.947 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.305 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -68.76 86.74 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 122.136 1.891 . . . . 0.0 111.114 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -72.34 88.67 1.19 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.942 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m -142.88 70.22 1.32 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -179.67 -168.33 0.11 Allowed 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 111.843 -2.435 . . . . 0.0 104.717 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 22.5 m -65.73 -80.56 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.271 0 O-C-N 123.485 0.491 . . . . 0.0 111.843 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -150.85 19.03 0.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.959 0.885 . . . . 0.0 109.634 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -162.91 179.83 7.3 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -75.02 114.15 13.17 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -79.08 89.18 4.8 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-O 122.791 1.281 . . . . 0.0 108.859 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.7 m -149.55 30.97 0.74 Allowed 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 113.645 -1.616 . . . . 0.0 108.385 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.5 m -66.26 -21.29 66.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.264 0.554 . . . . 0.0 112.35 -172.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.88 121.81 61.83 Favored Pre-proline 0 C--N 1.298 -1.662 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -63.92 -31.74 66.7 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.367 2.045 . . . . 0.0 110.563 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tt -68.27 -40.64 82.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.623 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.0 mmt -72.18 -41.59 66.83 Favored 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.42 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 4.8 pt-20 -72.21 -26.11 61.92 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.456 -0.897 . . . . 0.0 110.186 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.57 -38.77 87.79 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -66.03 -40.93 91.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.345 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.61 ' O ' HG13 ' B' ' 50' ' ' ILE . 28.7 ttm180 -57.71 -52.87 63.69 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 58.8 mtt180 -53.85 -46.05 71.13 Favored 'General case' 0 CA--C 1.502 -0.87 0 C-N-CA 123.065 0.546 . . . . 0.0 111.68 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.14 -51.43 68.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -62.99 -35.32 79.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.664 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.61 HG13 ' O ' ' B' ' 46' ' ' ARG . 85.2 mt -61.3 -53.42 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.159 0.584 . . . . 0.0 109.869 176.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -61.09 -45.68 93.7 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.171 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.618 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 45.7 mt-10 -60.3 -42.96 96.62 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.152 0.907 . . . . 0.0 112.178 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.8 p -75.08 -43.03 55.47 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.303 -175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.59 -38.71 91.2 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -59.76 -57.03 14.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.467 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.73 -25.69 63.05 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.326 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 123.53 0.732 . . . . 0.0 109.914 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.75 -34.69 78.45 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.07 0.462 . . . . 0.0 110.672 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.5 m -67.22 -45.75 75.89 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.372 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.48 -36.4 68.42 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.166 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.04 -49.2 84.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 120.833 0.349 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.432 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.89 -26.34 66.83 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.62 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.439 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.9 t70 -80.92 -28.45 35.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.418 0.627 . . . . 0.0 110.976 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -38.39 23.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 122.026 -0.421 . . . . 0.0 110.423 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.498 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.7 mp -90.89 -37.8 13.32 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.011 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.6 mtmt 53.55 67.37 1.01 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 122.539 1.161 . . . . 0.0 112.048 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.0 -70.84 0.53 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.782 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -171.31 143.86 1.92 Allowed 'General case' 0 CA--C 1.476 -1.88 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.7 m -83.37 -19.64 35.71 Favored 'General case' 0 N--CA 1.408 -2.561 0 O-C-N 123.458 0.473 . . . . 0.0 109.939 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -66.73 -33.61 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.781 0.801 . . . . 0.0 109.432 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -92.12 -6.35 50.99 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.04 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.432 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.6 t-160 -82.85 -42.88 17.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.032 0.933 . . . . 0.0 108.53 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -74.21 3.91 6.47 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -129.62 16.46 5.9 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 122.369 1.08 . . . . 0.0 108.868 179.49 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 30.9 mt -73.83 121.5 20.98 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.083 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.524 ' HB2' ' OD2' ' B' ' 79' ' ' ASP . 76.9 mm-40 -93.0 160.13 15.01 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.158 175.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.41 ' O ' HD11 ' B' ' 81' ' ' LEU . 34.3 ttmt -51.22 -47.2 62.39 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 123.767 0.827 . . . . 0.0 112.015 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.7 68.83 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.072 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' B' ' 76' ' ' GLU . 22.9 m-20 -78.76 -44.49 23.21 Favored 'General case' 0 CA--C 1.485 -1.556 0 CA-C-O 121.639 0.733 . . . . 0.0 109.479 -174.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.428 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.2 mt -62.88 -51.46 71.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.363 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.508 ' O ' HG21 ' B' ' 85' ' ' VAL . 7.6 mp -53.81 -52.71 59.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 123.657 0.598 . . . . 0.0 110.96 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.667 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.6 tt0 -59.47 -41.58 90.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.117 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 42.5 ttm -64.7 -35.28 80.54 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.559 0.695 . . . . 0.0 110.089 -172.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 11.3 m -70.64 -42.78 70.4 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.073 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 60.3 t -65.64 -43.41 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 109.79 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.667 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -62.43 -40.88 98.01 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.241 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.498 ' CG ' HD11 ' B' ' 65' ' ' LEU . 68.7 t60 -63.54 -34.14 77.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.79 0.329 . . . . 0.0 110.235 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 20.8 tp -55.66 -47.66 76.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.39 -38.91 91.43 Favored 'General case' 0 CA--C 1.496 -1.107 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.282 178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -57.6 -50.71 72.24 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.699 0.624 . . . . 0.0 110.223 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 96.7 mt -67.09 -30.42 70.44 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.812 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.03 -18.77 59.11 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.93 5.09 14.98 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.022 -0.424 . . . . 0.0 111.563 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.97 -11.75 60.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.583 0.706 . . . . 0.0 110.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.413 -2.275 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -115.5 101.46 54.27 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.05 151.79 14.14 Favored 'Trans proline' 0 N--CA 1.445 -1.333 0 C-N-CA 122.056 1.837 . . . . 0.0 112.098 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -101.41 -4.58 26.65 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.657 0.742 . . . . 0.0 110.0 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -84.17 97.9 9.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.67 97.72 8.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.338 0.59 . . . . 0.0 110.132 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -109.93 152.17 26.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.381 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 55.17 81.79 0.11 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.557 1.143 . . . . 0.0 113.766 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -88.87 91.63 8.9 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -113.43 117.17 30.98 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.82 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.641 ' HD3' ' OE1' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -104.91 147.04 28.19 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.074 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -130.97 -166.76 1.74 Allowed 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.2 t -87.28 -30.53 20.82 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.5 mmpt? -105.79 134.77 19.57 Favored Pre-proline 0 C--N 1.296 -1.728 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.361 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -64.0 -37.1 45.23 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 122.689 2.26 . . . . 0.0 110.364 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.505 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 6.9 tt -65.5 -44.75 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.45 -43.98 95.82 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.641 ' OE1' ' HD3' ' A' ' 36' ' ' LYS . 12.9 pt-20 -72.23 -24.55 61.4 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.799 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -75.26 -46.15 35.52 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 45.2 mtp180 -64.49 -41.26 96.57 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.014 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.569 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.7 ttm180 -58.69 -56.94 15.67 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.227 176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.505 ' HA ' HD13 ' A' ' 50' ' ' ILE . 52.8 ttt180 -60.84 -42.62 98.15 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.172 0.589 . . . . 0.0 111.841 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.1 -50.24 74.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 123.637 0.585 . . . . 0.0 109.527 177.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -67.43 -29.07 68.45 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.1 mt -59.73 -53.27 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -65.42 -47.32 76.63 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.126 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 33.5 mt-10 -63.86 -37.02 85.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 m -77.3 -36.01 54.48 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.12 -32.97 69.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.887 0.851 . . . . 0.0 108.956 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -72.73 -43.66 62.68 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.166 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 11.4 pt20 -68.56 -31.57 70.88 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.525 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.63 -58.72 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.201 1.0 . . . . 0.0 110.524 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -60.75 -32.48 71.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.879 0.371 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' ASP . 96.8 m -66.48 -53.24 37.42 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.716 -177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 83.3 mt -67.05 -39.82 87.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.397 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.579 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 35.1 mm -59.97 -54.06 39.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.235 0.541 . . . . 0.0 110.581 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp -68.08 -26.18 65.7 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.046 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' THR . 4.0 t70 -81.63 -25.65 35.46 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.054 0.454 . . . . 0.0 111.092 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.02 -34.62 24.27 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.832 0.825 . . . . 0.0 109.674 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 17.6 mt -93.23 -38.19 11.67 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.725 -174.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 51.26 65.05 1.6 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-O 122.337 1.065 . . . . 0.0 111.125 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -86.1 -80.16 0.24 Allowed 'General case' 0 N--CA 1.414 -2.273 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.141 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.54 131.92 12.9 Favored 'General case' 0 CA--C 1.486 -1.517 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -79.99 -15.73 56.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.958 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -70.95 -33.31 70.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.866 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -86.95 -20.17 27.71 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.269 0.557 . . . . 0.0 109.967 176.59 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -71.53 145.46 49.1 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 171.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m 72.2 1.15 3.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.185 0.993 . . . . 0.0 111.497 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.501 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -131.32 21.48 4.79 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 11.7 mt -93.9 116.13 28.56 Favored 'General case' 0 N--CA 1.414 -2.257 0 CA-C-N 112.588 -2.096 . . . . 0.0 109.184 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.87 153.89 28.74 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.4 ttmt -49.61 -50.18 43.81 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.3 0.64 . . . . 0.0 112.268 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.0 69.22 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.926 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -40.12 30.72 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.49 -0.777 . . . . 0.0 108.99 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.476 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.0 mt -67.73 -47.82 78.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.305 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 82.3 mt -53.79 -52.91 58.75 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.754 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 23.1 tt0 -63.04 -34.8 78.35 Favored 'General case' 0 C--O 1.204 -1.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.999 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.61 -31.32 71.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.4 m -75.86 -46.93 27.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.936 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.706 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 51.9 t -62.51 -43.84 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.282 0.563 . . . . 0.0 109.841 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 69.2 mttt -64.64 -32.55 74.26 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' ND1' HD22 ' A' ' 65' ' ' LEU . 50.8 t60 -66.49 -34.37 77.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.637 177.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.6 pp -72.53 -28.5 62.89 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.125 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.48 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 10.9 mmm-85 -67.32 -42.58 83.38 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -61.25 -43.71 98.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.196 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.41 -46.27 83.97 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.962 176.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.8 mm-40 -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -175.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -12.76 57.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.77 -28.01 33.48 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.933 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.427 -1.586 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.958 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 20.6 ptp . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.25 155.42 58.56 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.13 165.47 30.15 Favored 'Trans proline' 0 C--O 1.245 0.855 0 C-N-CA 122.615 2.21 . . . . 0.0 111.852 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -141.29 134.49 29.41 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.1 p -66.33 166.16 12.73 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.63 -159.15 0.94 Allowed 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.38 0.672 . . . . 0.0 109.37 -177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.8 m 74.87 163.69 0.27 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . 0.332 0.0 OUTLIER -99.1 -44.48 6.27 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -177.202 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -130.26 117.82 20.41 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.446 -0.901 . . . . 0.0 111.122 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -137.47 150.85 47.89 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -138.51 68.96 1.38 Allowed 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.573 1.178 . . . . 0.0 109.246 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 73.6 m -163.35 159.72 22.81 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 111.868 -2.424 . . . . 0.0 106.381 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -101.38 -26.79 13.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 122.595 1.188 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.406 ' HA ' ' HE3' ' B' ' 39' ' ' LYS 0.303 1.4 tpmt? -98.47 122.42 53.65 Favored Pre-proline 1 N--CA 1.364 -4.774 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.417 -169.698 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.35 -26.61 71.56 Favored 'Trans proline' 0 C--O 1.214 -0.677 0 C-N-CA 123.985 3.123 . . . . 0.0 113.489 -178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.418 HD12 HG21 ' B' ' 41' ' ' ILE . 10.5 tt -77.76 -41.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.47 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 93.9 mmm -64.28 -43.87 93.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.053 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.56 -32.2 70.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.384 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.92 -48.35 66.2 Favored 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 123.478 0.486 . . . . 0.0 110.166 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -56.97 -45.11 83.12 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.28 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.565 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.8 ttm180 -63.27 -53.5 51.9 Favored 'General case' 0 C--O 1.203 -1.393 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.929 178.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -51.83 -53.05 44.7 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.749 1.22 . . . . 0.0 111.901 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.92 92.07 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 122.553 0.341 . . . . 0.0 110.394 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -63.45 -35.26 79.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.151 0.282 . . . . 0.0 110.373 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.565 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.9 mt -59.45 -59.68 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -57.33 -46.21 83.48 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.19 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.98 -35.25 78.05 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -74.75 -37.75 62.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 119.851 -0.739 . . . . 0.0 109.661 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.62 -34.93 76.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -67.93 -49.46 61.66 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.11 -29.63 68.6 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.924 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.44 ' O ' HG12 ' B' ' 61' ' ' ILE . 6.7 tt -55.96 -58.5 7.64 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.279 1.032 . . . . 0.0 110.846 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -63.55 -30.32 71.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.825 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.417 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 89.1 m -67.6 -51.77 46.34 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.35 -32.77 73.1 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.44 HG12 ' O ' ' B' ' 57' ' ' LEU . 37.3 mm -63.78 -55.24 23.63 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-O 121.365 0.602 . . . . 0.0 110.15 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.65 -19.52 65.78 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.116 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -77.65 -32.35 53.22 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.031 0.443 . . . . 0.0 111.751 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.54 -32.14 26.02 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.681 0.753 . . . . 0.0 110.002 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.434 HD12 ' HE3' ' B' ' 67' ' ' LYS . 8.2 mt -102.01 -39.8 7.15 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.289 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt 50.17 40.6 22.32 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.917 0.887 . . . . 0.0 110.982 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.434 ' HE3' HD12 ' B' ' 65' ' ' LEU . 89.9 mttt -55.6 -62.82 1.43 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.865 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.7 t70 -162.03 135.09 6.09 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -177.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -87.66 -15.43 37.22 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.626 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' SER . . . . . 0.48 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 14.5 t -70.08 -45.18 67.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -75.16 -20.86 59.15 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 177.311 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -69.45 -28.55 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -90.95 15.71 10.92 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.904 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 71.78 0.83 Allowed 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.493 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 21.2 mt -116.55 117.92 31.2 Favored 'General case' 0 N--CA 1.395 -3.187 0 CA-C-N 113.899 -1.501 . . . . 0.0 111.602 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.65 151.73 28.83 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.509 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.8 ttmt -52.63 -42.86 65.0 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.398 0.618 . . . . 0.0 111.319 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.75 -35.38 72.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.547 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.87 -39.78 34.29 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.002 0.906 . . . . 0.0 108.594 -173.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.493 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.8 mt -63.51 -51.49 69.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.068 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.534 ' O ' HG23 ' B' ' 85' ' ' VAL . 83.4 mt -57.84 -47.7 81.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.575 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 19.8 tt0 -58.85 -41.92 88.1 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.564 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 36.0 tpp -68.99 -29.51 67.73 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.71 0.767 . . . . 0.0 109.622 -174.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.404 HG21 HD11 ' B' ' 61' ' ' ILE . 20.9 m -75.05 -45.47 41.34 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.072 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.693 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 68.9 t -65.68 -42.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.915 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 44.6 mttm -63.12 -36.86 84.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.077 0.465 . . . . 0.0 111.306 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -66.86 -34.29 77.47 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.561 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 3.1 pp -67.64 -33.54 75.17 Favored 'General case' 0 C--O 1.204 -1.327 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.123 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -57.67 -48.99 77.98 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.1 -54.36 40.54 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.965 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.27 -17.42 64.28 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.401 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.95 -39.01 21.97 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.94 7.83 36.75 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.113 -172.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 -5.89 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.71 0.767 . . . . 0.0 109.897 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 C--O 1.236 0.385 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -73.66 150.34 88.73 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.667 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.34 -41.93 63.65 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 123.324 2.683 . . . . 0.0 112.842 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.79 86.33 5.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.191 0.519 . . . . 0.0 110.389 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.4 m -137.17 -58.31 0.71 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.99 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.1 21.7 16.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.85 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 t -88.96 106.59 18.52 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.13 140.11 39.02 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.284 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -75.09 100.27 4.18 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.662 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -107.42 -47.34 3.66 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -155.57 92.35 1.39 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.8 m -153.61 150.25 28.44 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 114.264 -1.334 . . . . 0.0 108.934 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -170.04 -40.53 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.999 0.904 . . . . 0.0 108.691 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 7.6 mmmm -101.07 117.81 61.6 Favored Pre-proline 0 C--N 1.287 -2.152 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.047 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.24 -31.8 17.72 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.766 2.311 . . . . 0.0 111.178 -172.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 tt -78.39 -41.06 25.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.392 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.88 -42.95 89.68 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.531 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.55 -34.43 75.83 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -67.98 -47.13 69.41 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -53.82 -52.85 59.03 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.053 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.554 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -68.56 -48.23 64.79 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.244 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HA ' HD12 ' A' ' 50' ' ' ILE . 79.1 ttt180 -53.28 -48.8 68.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.461 0.704 . . . . 0.0 111.685 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -60.69 -49.2 78.45 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.162 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -63.23 -33.24 75.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -57.36 -55.43 20.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.96 -45.62 91.61 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.65 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 54.7 mt-10 -63.26 -37.93 89.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 m -76.07 -39.86 54.45 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.273 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.5 -37.03 85.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 t -58.07 -54.79 42.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -70.17 -31.45 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.89 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -57.23 -59.87 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.349 0.659 . . . . 0.0 110.372 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.422 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.96 -27.71 69.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -66.98 -51.32 56.52 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.485 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.91 -31.83 64.91 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.6 mm -64.52 -35.83 75.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.952 176.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.4 -38.89 59.63 Favored 'General case' 0 C--O 1.192 -1.944 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.516 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.85 -29.16 61.97 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.368 0.604 . . . . 0.0 112.025 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.38 33.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 122.087 -0.383 . . . . 0.0 110.044 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.37 -30.69 16.39 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.414 -0.915 . . . . 0.0 112.113 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 55.01 38.15 30.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.438 1.095 . . . . 0.0 111.588 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -55.8 -71.83 0.08 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.951 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -177.4 152.3 0.83 Allowed 'General case' 0 CA--C 1.465 -2.305 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -82.1 -27.63 32.74 Favored 'General case' 0 N--CA 1.408 -2.548 0 O-C-N 124.048 0.842 . . . . 0.0 111.547 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 t -69.67 -42.52 74.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.414 0.626 . . . . 0.0 109.323 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -7.61 56.96 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.06 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 15.0 t-160 -89.6 -36.5 15.26 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m -70.73 -11.01 60.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.988 0.899 . . . . 0.0 111.579 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -129.34 23.99 5.53 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.693 -179.37 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.536 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.7 tp -81.57 115.09 20.69 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.686 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.9 mm-40 -72.72 146.2 46.63 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.615 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -49.91 -43.51 49.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.261 0.553 . . . . 0.0 111.355 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.86 -35.02 70.37 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.553 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -79.19 -44.89 20.98 Favored 'General case' 0 CA--C 1.479 -1.776 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.417 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.536 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 81.4 mt -54.28 -51.96 43.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.227 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 80.9 mt -59.93 -49.7 76.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.739 0.304 . . . . 0.0 110.276 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.0 tt0 -58.02 -40.16 80.16 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.624 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.407 ' HA ' ' HE3' ' A' ' 83' ' ' MET . 0.1 OUTLIER -67.23 -31.54 71.97 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.326 -173.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -72.68 -38.9 67.43 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.378 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 54.7 t -67.51 -44.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 66.2 mttt -61.67 -38.57 88.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.37 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.38 -35.19 78.41 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.6 tp -61.03 -43.97 98.09 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -65.6 -42.51 91.54 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.592 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -61.82 -42.3 98.85 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.861 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.27 -44.49 68.31 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.68 -30.39 71.4 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.158 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -4.69 46.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.682 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.15 -5.9 50.85 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.526 0.679 . . . . 0.0 110.981 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.089 -174.746 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.148 0.499 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -117.27 95.25 46.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 169.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.08 -34.21 92.06 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 123.085 2.523 . . . . 0.0 110.632 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -95.42 97.23 9.66 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.9 p -63.91 -58.82 5.61 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.027 -173.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.09 -71.46 0.12 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m 54.01 80.76 0.11 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.367 1.042 . . . . 0.0 111.071 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 68.02 172.45 0.28 Allowed 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.599 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 54.68 67.97 0.93 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.036 0.934 . . . . 0.0 110.324 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -122.5 -34.22 3.3 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.983 -176.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -124.02 124.88 43.54 Favored 'General case' 0 N--CA 1.403 -2.797 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -170.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m 77.22 -45.42 0.47 Allowed 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 124.842 1.257 . . . . 0.0 111.928 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -90.8 120.63 31.99 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.736 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.459 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -106.41 120.68 47.81 Favored Pre-proline 0 C--N 1.279 -2.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.499 171.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.09 -40.02 83.28 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 123.399 2.733 . . . . 0.0 111.847 -174.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 tt -73.21 -44.5 55.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.601 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 95.8 mmm -66.5 -42.15 87.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 111.403 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.2 pt-20 -70.63 -29.24 65.55 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.193 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -69.25 -40.44 77.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -60.54 -48.53 81.38 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.521 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.531 ' O ' HG13 ' B' ' 50' ' ' ILE . 14.5 ttt180 -62.63 -50.65 70.38 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.07 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -55.14 -44.71 75.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.331 1.052 . . . . 0.0 111.177 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.54 -53.85 52.7 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -61.89 -33.43 74.2 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.563 0.539 . . . . 0.0 111.725 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 46' ' ' ARG . 99.0 mt -60.16 -53.27 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -64.77 -42.68 94.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.411 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 44.1 mt-10 -60.49 -42.39 96.22 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.457 0.473 . . . . 0.0 111.861 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 23.2 m -74.57 -43.19 56.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.458 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 3.3 tt -63.67 -42.44 98.07 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.606 0.717 . . . . 0.0 109.94 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.2 m -68.66 -41.91 78.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.523 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.78 -31.23 67.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.406 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.429 HD23 ' OG1' ' B' ' 84' ' ' THR . 8.9 tt -55.96 -57.35 12.46 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.409 1.084 . . . . 0.0 110.358 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -61.35 -33.55 73.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -66.77 -50.52 62.43 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.07 -29.5 66.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.415 HG22 ' HG2' ' B' ' 83' ' ' MET . 31.5 mm -67.84 -48.4 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.021 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 4.3 mm? -64.61 -20.25 66.16 Favored 'General case' 0 C--O 1.188 -2.133 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 177.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.507 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 23.8 t70 -83.13 -37.57 23.58 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.145 0.497 . . . . 0.0 111.12 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.77 -34.4 58.03 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.976 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' B' ' 87' ' ' HIS . 4.4 mp -107.38 -37.04 6.34 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.019 -1.073 . . . . 0.0 111.008 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.507 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 26.9 mtmt 57.53 71.15 0.6 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.96 0.886 . . . . 0.0 110.68 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.59 -62.11 1.79 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.291 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -173.57 149.47 1.65 Allowed 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.0 p -85.93 -21.83 27.74 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.513 0.508 . . . . 0.0 111.867 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -70.47 -46.81 63.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.08 -15.11 61.5 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.18 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.505 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 12.1 t-160 -77.6 -37.84 49.45 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.3 m -89.17 0.07 57.04 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.551 0.691 . . . . 0.0 112.174 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -15.63 14.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.765 178.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 20.3 mt -39.82 110.54 0.15 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.416 ' O ' HG13 ' B' ' 80' ' ' ILE . 39.5 mt-10 -80.71 150.61 29.27 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.49 ' HZ1' ' HB2' ' B' ' 77' ' ' LYS . 2.9 ttmp? -50.28 -46.68 55.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 112.213 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.37 -29.99 70.25 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 123.834 0.854 . . . . 0.0 112.331 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -78.68 -41.66 30.6 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 72.1 mt -64.6 -51.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.602 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.543 ' O ' HG21 ' B' ' 85' ' ' VAL . 7.5 mp -54.93 -53.12 59.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.663 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.696 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.7 tt0 -64.44 -35.66 81.65 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.352 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.415 ' HG2' HG22 ' B' ' 61' ' ' ILE . 44.3 ttp -60.67 -43.82 97.21 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.812 0.815 . . . . 0.0 110.348 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.429 ' OG1' HD23 ' B' ' 57' ' ' LEU . 6.9 m -67.39 -41.75 84.46 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.46 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.677 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 47.4 t -64.62 -46.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.266 0.555 . . . . 0.0 109.939 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.696 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.1 mtmt -61.85 -36.72 82.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.777 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.535 ' CG ' HD13 ' B' ' 65' ' ' LEU . 55.2 t60 -70.49 -33.37 71.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.7 pp -66.74 -33.4 75.55 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.915 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.641 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.3 mpt_? -57.64 -50.93 71.52 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 123.507 0.505 . . . . 0.0 109.967 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.4 -47.58 81.32 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 123.897 0.748 . . . . 0.0 111.056 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.23 -22.48 62.9 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.104 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.09 -38.34 31.91 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 120.897 0.38 . . . . 0.0 111.782 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.1 OUTLIER -102.48 13.45 34.51 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.117 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.5 52.39 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.637 0.732 . . . . 0.0 109.787 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.416 -2.173 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.409 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 C--O 1.213 -0.826 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -62.18 -53.69 56.53 Favored Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.87 -35.73 92.9 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 121.697 1.598 . . . . 0.0 111.791 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -80.71 89.34 5.75 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -74.27 83.35 1.88 Allowed 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.782 0.801 . . . . 0.0 111.092 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.72 90.28 7.69 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.073 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 18.8 m -87.83 118.56 27.43 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.79 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.15 -39.74 82.56 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.504 ' O ' ' HB3' ' A' ' 32' ' ' SER . 87.7 m-70 -112.19 136.72 51.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 170.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -54.12 -48.24 70.98 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.793 0.683 . . . . 0.0 112.524 -172.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.629 ' HD3' ' H ' ' A' ' 36' ' ' LYS 0.278 0.1 OUTLIER -82.92 53.39 2.41 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 123.132 1.444 . . . . 0.0 113.295 -178.28 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m -123.99 87.69 2.78 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 114.119 -1.401 . . . . 0.0 109.311 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 m -134.37 1.07 3.13 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.652 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -104.36 120.58 50.23 Favored Pre-proline 0 N--CA 1.424 -1.739 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.142 173.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.51 -37.39 81.02 Favored 'Trans proline' 0 C--N 1.332 -0.332 0 C-N-CA 122.945 2.43 . . . . 0.0 111.503 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 9.1 tt -68.02 -40.5 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.161 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.48 -41.41 84.63 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.043 0.449 . . . . 0.0 112.195 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.51 -25.77 45.68 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.834 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -75.6 -34.72 60.63 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.575 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -59.7 -50.51 73.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.862 173.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.6 ttm180 -59.22 -48.2 82.52 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.658 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -53.63 -49.83 67.02 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.642 0.777 . . . . 0.0 110.969 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.54 -47.35 85.9 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -63.17 -34.47 77.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.0 mt -60.12 -53.49 47.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.677 175.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -59.47 -43.08 93.33 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.711 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 58.0 mt-10 -59.52 -42.55 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.638 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -76.67 -37.02 56.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.474 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.08 -40.57 78.38 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.677 0.751 . . . . 0.0 109.268 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -69.2 -44.18 72.63 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.771 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -71.22 -27.98 63.87 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.414 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.444 HD21 ' OG1' ' A' ' 84' ' ' THR . 9.3 tt -58.24 -57.22 13.86 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.273 0.629 . . . . 0.0 110.217 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -61.77 -33.28 73.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -69.48 -47.93 62.32 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.452 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.1 -37.32 72.4 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.43 -41.89 93.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.89 0.853 . . . . 0.0 109.201 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 6.5 tp -73.44 -20.61 60.67 Favored 'General case' 0 C--O 1.198 -1.617 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.472 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.18 -33.23 24.24 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.838 0.828 . . . . 0.0 111.049 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' HE21 ' B' ' 92' ' ' GLN . . . -80.77 -37.7 29.89 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.912 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.36 -29.68 10.59 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.78 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 28.1 mtmt 59.17 55.18 4.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.506 0.669 . . . . 0.0 111.989 172.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.82 -72.54 0.15 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.832 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.58 146.21 2.15 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.9 m -83.76 -19.76 34.55 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 123.558 0.536 . . . . 0.0 110.791 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 m -71.88 -40.88 68.63 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 109.415 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -23.42 60.72 Favored 'General case' 0 C--O 1.203 -1.343 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.427 ' ND1' HD21 ' A' ' 62' ' ' LEU . 25.5 t60 -68.34 -28.95 67.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 176.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -86.15 -10.88 53.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.852 0.834 . . . . 0.0 112.081 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HE2' ' O ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -91.9 -40.32 11.23 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 6.7 tp -38.41 98.17 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 128.57 2.748 . . . . 0.0 111.908 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.4 167.63 19.22 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.413 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.4 ttpt -59.13 -40.25 84.86 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.346 0.593 . . . . 0.0 111.8 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.467 ' HB2' ' HG3' ' B' ' 49' ' ' ARG . . . -63.21 -30.48 71.61 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.218 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.37 -52.97 8.25 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.436 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 84.2 mt -49.05 -52.44 10.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 113.823 -1.535 . . . . 0.0 112.23 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 76.9 mt -61.03 -50.04 74.95 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 123.165 0.29 . . . . 0.0 111.049 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.64 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 31.0 tt0 -62.99 -33.38 75.28 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.89 -53.9 52.61 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.444 ' OG1' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -55.39 -44.19 75.9 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.569 0.224 . . . . 0.0 111.548 176.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 81' ' ' LEU . 44.2 t -59.42 -51.39 73.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.529 0.681 . . . . 0.0 110.744 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mtmt -65.8 -30.67 71.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.837 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -77.73 -25.42 49.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.686 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tm? -61.42 -43.03 99.57 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.602 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 6.6 mmm-85 -60.53 -48.76 80.34 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.718 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.48 -54.4 47.5 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.371 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.59 -30.65 71.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.798 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.474 HE21 ' HB2' ' B' ' 64' ' ' ALA . 12.3 mm-40 -75.81 -19.38 58.99 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.7 ppt_? -110.57 10.07 23.05 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.789 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.27 32.32 0.56 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 0.0 110.083 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 C--N 1.302 -1.48 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -176.2 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 C--O 1.236 0.376 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -81.79 -47.37 1.02 Allowed Pre-proline 0 C--N 1.311 -1.067 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.36 108.16 0.49 Allowed 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 121.644 1.563 . . . . 0.0 112.623 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -78.42 -45.26 22.73 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -90.93 91.07 8.17 Favored 'General case' 0 N--CA 1.402 -2.834 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 170.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.75 155.59 24.18 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.03 -176.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.8 t -95.01 92.49 6.88 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -167.19 88.51 0.31 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -137.33 127.39 25.98 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 62.3 ttt180 58.18 41.17 24.12 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 122.781 1.277 . . . . 0.0 108.896 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.411 ' HD2' ' OE1' ' B' ' 43' ' ' GLU . 3.7 tppp? -156.89 99.4 1.83 Allowed 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.775 -177.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -91.74 89.99 7.33 Favored 'General case' 0 C--N 1.283 -2.323 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.299 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t 176.87 -173.63 0.1 Allowed 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.546 ' HE3' ' HD2' ' B' ' 40' ' ' PRO . 0.0 OUTLIER -106.08 120.76 47.85 Favored Pre-proline 0 N--CA 1.403 -2.781 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 171.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.546 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 18.0 Cg_endo -60.36 -34.23 93.59 Favored 'Trans proline' 0 C--O 1.205 -1.138 0 C-N-CA 122.812 2.341 . . . . 0.0 110.233 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 tt -67.95 -43.63 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.732 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.13 -41.65 73.63 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.411 ' OE1' ' HD2' ' B' ' 36' ' ' LYS . 12.6 pt-20 -77.24 -22.25 52.5 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.876 -1.129 . . . . 0.0 111.94 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.48 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.16 -47.56 79.38 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.967 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.458 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.9 ttm180 -58.52 -53.27 60.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 123.748 0.655 . . . . 0.0 110.298 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.427 ' HA ' HD11 ' B' ' 50' ' ' ILE . 64.1 ttt180 -53.55 -47.31 70.14 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 124.626 1.17 . . . . 0.0 110.562 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.63 -52.26 66.16 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . 0.467 ' HG3' ' HB2' ' A' ' 78' ' ' ALA . 9.6 tpp180 -60.23 -31.59 70.33 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.101 0.251 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.458 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -62.99 -57.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -62.73 -38.37 90.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.39 -37.61 77.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.247 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' SER . . . . . 0.444 ' HA ' HE21 ' B' ' 56' ' ' GLN . 19.8 p -72.02 -36.0 69.56 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.652 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.37 -38.0 88.73 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.138 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 t -63.94 -49.84 71.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.527 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.444 HE21 ' HA ' ' B' ' 53' ' ' SER . 26.8 pt20 -69.2 -28.03 66.01 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.58 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tt -60.94 -59.12 5.88 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.066 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -57.78 -38.9 76.26 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.234 0.334 . . . . 0.0 110.609 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.6 m -58.79 -52.66 64.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.848 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.2 -29.37 57.61 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.93 -47.42 88.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 120.899 0.38 . . . . 0.0 110.259 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.93 63.34 Favored 'General case' 0 C--O 1.205 -1.287 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' B' ' 59' ' ' THR . 6.1 t70 -73.28 -37.62 66.19 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 121.135 0.493 . . . . 0.0 111.07 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.474 ' HB2' HE21 ' A' ' 92' ' ' GLN . . . -82.83 -42.93 17.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.301 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.46 -29.97 27.61 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.018 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 63' ' ' ASP . 35.9 mtmt 49.77 67.31 0.92 Allowed 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 124.381 1.072 . . . . 0.0 113.107 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.462 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -83.8 -72.83 0.44 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.145 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -175.29 155.51 1.89 Allowed 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 t -80.89 -29.16 35.72 Favored 'General case' 0 N--CA 1.405 -2.688 0 O-C-N 123.738 0.649 . . . . 0.0 111.719 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -64.23 -47.09 80.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.729 0.3 . . . . 0.0 110.473 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 9.5 ptp180 -68.7 -38.85 80.6 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.258 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 10.7 t-160 -56.65 -33.75 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 26.6 m -77.64 -1.23 29.89 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 122.089 0.947 . . . . 0.0 111.561 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.452 ' HE2' ' OD2' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -109.82 -29.14 8.43 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.002 176.202 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 tp -45.03 110.99 0.27 Allowed 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.761 1.624 . . . . 0.0 113.026 -171.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.2 164.8 17.87 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.631 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.457 ' HE3' HD12 ' A' ' 50' ' ' ILE . 25.5 ttpt -54.65 -40.22 68.8 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.541 0.525 . . . . 0.0 111.732 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.93 68.84 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.495 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.452 ' OD2' ' HE2' ' B' ' 74' ' ' LYS . 42.5 m-20 -77.7 -53.01 8.04 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 83.1 mt -50.07 -50.13 20.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 113.664 -1.607 . . . . 0.0 111.535 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.509 ' O ' HG22 ' B' ' 85' ' ' VAL . 7.5 mp -60.44 -46.75 88.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.63 0.581 . . . . 0.0 112.203 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.667 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.3 tt0 -64.82 -37.54 87.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.767 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.462 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 27.6 tpp -62.06 -30.95 71.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -44.26 49.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.519 0.676 . . . . 0.0 109.493 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.509 HG22 ' O ' ' B' ' 81' ' ' LEU . 40.6 t -61.82 -40.62 87.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.375 0 CA-C-O 122.268 1.032 . . . . 0.0 109.676 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.667 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.3 mtmt -69.25 -30.64 68.81 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.031 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . 0.423 ' HD1' HD11 ' B' ' 91' ' ' LEU . 0.0 OUTLIER -63.25 -35.52 80.6 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.224 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -52.76 64.2 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.456 ' NH1' HG11 ' B' ' 85' ' ' VAL . 4.5 mpt_? -58.68 -46.91 86.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.721 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . 0.492 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 90.0 m-20 -59.75 -47.9 83.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 123.571 0.748 . . . . 0.0 112.588 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.423 HD11 ' HD1' ' B' ' 87' ' ' HIS . 97.0 mt -74.05 -37.01 64.42 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.816 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 64' ' ' ALA . 13.3 mm-40 -70.18 -24.11 63.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -86.76 -8.64 57.19 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.775 0.798 . . . . 0.0 109.643 -179.433 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.22 59.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.004 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -81.52 -53.42 0.74 Allowed Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 119.126 -0.464 . . . . 0.0 109.816 174.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.08 96.26 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 120.952 1.101 . . . . 0.0 109.729 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.48 157.35 45.85 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -73.33 102.51 3.73 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.17 159.37 16.14 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.038 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.3 m -101.71 131.89 47.73 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.662 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -69.38 109.28 4.09 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.181 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -67.68 -36.05 79.98 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.378 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -137.19 139.82 41.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.801 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -141.88 125.74 17.1 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 p -91.37 -73.07 0.55 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.263 0.554 . . . . 0.0 111.082 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.0 t -153.95 -61.78 0.13 Allowed 'General case' 0 C--N 1.281 -2.394 0 CA-C-O 121.756 0.789 . . . . 0.0 109.928 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -104.79 117.49 58.7 Favored Pre-proline 0 C--N 1.278 -2.536 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.26 177.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 Cg_endo -61.71 -34.34 83.84 Favored 'Trans proline' 0 C--O 1.211 -0.834 0 C-N-CA 123.304 2.67 . . . . 0.0 111.283 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 8.1 tt -74.08 -42.92 52.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 mmt -67.28 -41.78 84.89 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 120.853 0.359 . . . . 0.0 111.837 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.8 pt-20 -70.85 -30.28 66.63 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.239 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 27.4 ttpp -71.74 -34.97 69.97 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 59.6 mtp180 -64.08 -43.17 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.576 0.703 . . . . 0.0 109.441 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.37 -49.36 60.74 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.813 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.12 -46.86 75.62 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.433 1.093 . . . . 0.0 111.755 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.25 -49.33 74.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.29 -36.92 83.58 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.041 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.76 -49.7 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 110.0 176.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -63.96 -44.81 91.65 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 30.1 mm-40 -63.48 -40.5 97.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.215 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.5 p -74.93 -41.81 58.94 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.933 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.2 -40.58 96.54 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -68.28 -42.4 79.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.327 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -69.38 -32.76 72.0 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 119.711 -0.796 . . . . 0.0 108.862 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 HD21 ' OG1' ' A' ' 84' ' ' THR . 8.3 tt -57.66 -58.86 6.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.961 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.83 -34.83 72.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.254 0.346 . . . . 0.0 111.092 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 m -64.12 -52.95 56.68 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.918 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.22 -33.45 67.58 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -65.53 -52.36 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 O-C-N 123.105 0.253 . . . . 0.0 111.424 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -61.75 -32.04 72.26 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.591 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.8 -26.73 57.53 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 123.893 0.877 . . . . 0.0 111.148 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.63 -29.32 27.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.177 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 87' ' ' HIS . 5.9 mp -98.04 -35.71 10.35 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.002 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 58.96 69.41 0.73 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.921 1.343 . . . . 0.0 111.878 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -85.94 -65.79 0.97 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 112.929 -1.942 . . . . 0.0 111.214 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -175.18 147.25 0.89 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 t -83.03 -20.16 35.54 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-O 121.072 0.463 . . . . 0.0 110.492 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -71.78 -43.66 65.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -6.43 56.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.369 0.604 . . . . 0.0 110.349 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.481 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 13.1 t-160 -89.38 -18.3 27.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.875 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 m -98.09 -4.81 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.876 0.846 . . . . 0.0 111.187 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.38 73.83 1.55 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.732 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.1 tp -126.79 107.32 10.03 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.27 -173.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -76.73 149.89 36.32 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.538 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.512 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -48.35 -45.7 35.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.209 0.603 . . . . 0.0 112.422 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.87 -31.72 73.0 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.95 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -78.44 -35.2 47.19 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.245 1.021 . . . . 0.0 108.506 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.732 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.8 mt -67.9 -52.33 40.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.736 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 85' ' ' VAL . 78.3 mt -55.8 -51.77 66.32 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 123.378 0.424 . . . . 0.0 109.971 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 24.3 tt0 -59.36 -36.51 75.86 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.505 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.0 ttm -67.54 -39.75 85.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.814 0.816 . . . . 0.0 109.519 -176.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.44 ' OG1' HD21 ' A' ' 57' ' ' LEU . 9.0 m -67.7 -44.81 76.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.004 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 81' ' ' LEU . 45.2 t -66.38 -43.41 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.43 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.25 -36.09 82.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.538 -178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.472 ' CG ' HD12 ' A' ' 65' ' ' LEU . 9.9 t-80 -70.67 -27.25 63.88 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 27.1 tp -61.85 -45.63 92.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.8 mpt_? -57.77 -47.57 82.14 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.443 0.464 . . . . 0.0 109.804 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -54.38 -54.44 40.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 124.126 0.891 . . . . 0.0 111.623 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -66.27 -34.98 79.22 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.355 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -70.14 -19.6 63.21 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.1 ppt_? -111.04 -1.57 16.24 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 121.929 -0.482 . . . . 0.0 111.84 -175.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 18.07 0.62 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.53 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -176.107 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -114.9 156.47 45.05 Favored Pre-proline 0 C--N 1.307 -1.254 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -85.89 10.78 3.54 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 122.961 2.44 . . . . 0.0 109.606 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.529 ' HZ2' ' HB3' ' B' ' 29' ' ' LYS . 8.9 mtpm? 73.62 -83.91 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 126.582 1.953 . . . . 0.0 112.981 178.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -177.84 -173.83 0.41 Allowed 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -174.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.41 75.67 6.0 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 121.43 0.633 . . . . 0.0 111.321 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.2 m -101.94 97.9 8.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -130.64 129.84 43.19 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.262 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 176.08 91.2 0.01 OUTLIER 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 107.25 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 69.32 -74.52 0.08 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.475 1.51 . . . . 0.0 108.984 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -163.7 95.83 0.82 Allowed 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.548 ' OG ' ' HB3' ' B' ' 43' ' ' GLU . 7.5 t -97.03 108.95 21.78 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.216 -176.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -123.43 -8.54 8.06 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.5 mmpt? -104.66 115.47 62.64 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.969 -0.457 . . . . 0.0 111.423 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.03 -33.17 95.57 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.517 2.811 . . . . 0.0 112.698 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.4 tt -73.84 -42.25 53.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.6 -40.64 80.34 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.09 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.548 ' HB3' ' OG ' ' B' ' 37' ' ' SER . 10.1 pt-20 -73.86 -27.21 60.97 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.368 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -68.86 -46.95 67.17 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -59.39 -49.94 75.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.44 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.574 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.4 ttm180 -63.96 -57.17 10.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.388 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . 0.481 ' HA ' HD11 ' B' ' 50' ' ' ILE . 76.6 ttt180 -60.08 -39.14 85.03 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 122.97 0.508 . . . . 0.0 111.847 -174.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -57.08 -54.51 45.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.593 0.558 . . . . 0.0 109.555 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -65.66 -27.97 68.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.986 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.574 HG13 ' O ' ' B' ' 46' ' ' ARG . 92.7 mt -61.54 -54.14 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -66.04 -43.72 86.73 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.473 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 49.1 mt-10 -61.66 -43.2 99.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.875 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -75.99 -37.66 58.25 Favored 'General case' 0 N--CA 1.436 -1.175 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.978 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.77 -39.32 80.29 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -65.5 -48.77 71.45 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.404 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.3 pt20 -68.6 -28.75 67.2 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.518 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.82 -58.74 7.05 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -61.32 -30.56 70.57 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.454 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 50.0 m -66.78 -54.7 20.01 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.921 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.64 -41.04 96.42 Favored 'General case' 0 C--O 1.2 -1.506 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.439 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.65 -45.9 90.55 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 CA-C-O 121.599 0.714 . . . . 0.0 111.482 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' ND1' ' B' ' 72' ' ' HIS . 0.8 OUTLIER -70.02 -41.92 73.64 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.068 -177.179 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.445 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 9.8 t70 -79.93 -28.08 39.76 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -173.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -31.85 31.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.73 -16.4 15.46 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 118.671 -1.212 . . . . 0.0 112.686 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' B' ' 63' ' ' ASP 0.267 23.5 mtmt 48.74 65.26 1.4 Allowed 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.635 1.174 . . . . 0.0 113.862 178.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -62.31 -80.84 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.548 -2.115 . . . . 0.0 111.365 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -177.27 154.22 1.02 Allowed 'General case' 0 CA--C 1.475 -1.912 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -85.36 -26.41 26.51 Favored 'General case' 0 C--N 1.269 -2.898 0 O-C-N 123.818 0.699 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.0 t -67.8 -43.66 79.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -10.13 59.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.695 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.452 ' ND1' ' HG ' ' B' ' 62' ' ' LEU . 80.2 t60 -67.44 -21.45 65.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.532 0.682 . . . . 0.0 109.375 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -85.39 10.19 13.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -141.98 73.23 1.4 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.555 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.49 117.04 16.69 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.987 174.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -94.61 159.31 15.14 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 24.7 ttpt -55.57 -41.44 73.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.212 0.46 . . . . 0.0 112.006 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.92 71.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.183 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.61 -43.01 27.41 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.967 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.78 -46.19 96.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.845 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.8 mt -62.02 -50.54 71.61 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.399 0.437 . . . . 0.0 110.129 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 14.7 tt0 -57.83 -37.68 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.956 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.1 tpp -59.64 -48.64 80.85 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 123.541 0.526 . . . . 0.0 109.859 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -40.99 90.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 48.4 t -65.75 -48.41 82.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.197 0.522 . . . . 0.0 110.096 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 77.9 mttt -65.38 -33.72 76.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.439 0.638 . . . . 0.0 110.764 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.27 -26.99 60.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.477 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 24.3 tp -60.27 -43.75 95.94 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 7.6 mmm-85 -61.34 -48.23 82.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.952 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.53 -54.49 46.41 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.613 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 86.2 mt -70.84 -17.24 62.75 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.608 -176.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -86.6 -19.58 29.16 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -107.75 4.94 26.18 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.669 179.284 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -12.87 61.73 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.953 0.882 . . . . 0.0 110.424 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.403 -2.809 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 CA--C 1.499 -0.992 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.44 -25.2 63.09 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.775 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.2 60.22 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.99 -42.11 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.8 ttm180 -59.43 -48.62 80.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.612 175.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 50' ' ' ILE . 78.3 ttt180 -52.71 -45.25 66.83 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.176 0.99 . . . . 0.0 111.592 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.36 -49.96 75.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 123.75 0.656 . . . . 0.0 109.703 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -65.03 -31.31 72.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.7 mt -59.2 -52.73 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.955 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 44.9 mt-10 -57.04 -45.77 82.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.356 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.8 m -69.1 -45.24 70.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.531 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.2 -36.29 83.73 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.692 0.62 . . . . 0.0 110.24 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 22.9 t -63.26 -53.34 54.47 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.198 0.523 . . . . 0.0 110.547 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -71.15 -25.76 62.7 Favored 'General case' 0 C--N 1.317 -0.848 0 O-C-N 121.776 -0.577 . . . . 0.0 110.892 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' ILE . 6.1 tt -59.38 -57.63 12.14 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 123.823 0.849 . . . . 0.0 110.487 177.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' SER . 65.8 pttt -58.64 -37.74 76.59 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.8 0.333 . . . . 0.0 110.706 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.8 m -58.81 -59.79 4.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.637 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.02 -27.89 66.93 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 84' ' ' THR . 41.0 mm -71.41 -55.26 14.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.266 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -174.755 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.662 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 3.6 m-20 -74.71 -24.77 58.8 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.07 63.95 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.971 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD22 ' NZ ' ' A' ' 67' ' ' LYS . 3.7 mp -99.95 -19.77 16.43 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 119.571 -0.852 . . . . 0.0 111.373 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.662 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.3 mmpt? 63.35 48.83 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.641 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.834 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 48.2 mttp -57.41 -77.44 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.812 174.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.547 ' OD2' ' HB3' ' A' ' 70' ' ' SER . 34.0 t70 -168.74 131.45 1.35 Allowed 'General case' 0 CA--C 1.461 -2.462 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.6 m -86.78 -15.34 39.63 Favored 'General case' 0 N--CA 1.406 -2.644 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.9 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB3' ' OD2' ' A' ' 68' ' ' ASP . 38.2 t -71.8 -49.67 36.57 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -71.63 -13.29 61.71 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.58 ' HA ' HD13 ' A' ' 75' ' ' LEU . 14.1 t-80 -67.11 -16.74 64.51 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.156 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.1 p -79.17 -6.2 55.98 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.71 0.766 . . . . 0.0 110.989 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -142.89 74.81 1.46 Allowed 'General case' 0 N--CA 1.424 -1.764 0 CA-C-O 122.352 1.073 . . . . 0.0 109.101 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.39 123.64 50.56 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.853 171.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -64.99 142.88 58.28 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.0 ttmt -50.49 -39.73 49.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -64.99 -32.21 73.83 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.65 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' ' 83' ' ' MET . 21.1 t70 -76.13 -34.33 59.45 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 78.8 mt -68.26 -50.18 60.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.653 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.6 mt -60.43 -50.96 71.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 11.5 tt0 -59.71 -35.51 74.66 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.834 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 24.6 tpp -67.37 -35.12 78.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.691 0.758 . . . . 0.0 109.298 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.439 HG23 HD11 ' A' ' 61' ' ' ILE . 14.1 m -72.3 -44.16 63.14 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.052 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' LEU . 60.8 t -63.8 -42.88 97.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mttm -66.3 -36.7 83.62 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.626 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.24 -27.07 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tt -64.47 -43.4 94.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.649 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 18.0 mmm180 -61.93 -45.04 95.45 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.517 -1.22 . . . . 0.0 109.137 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.52 -48.44 81.66 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.487 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 97.7 mt -62.99 -34.95 78.64 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.207 0.527 . . . . 0.0 111.697 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -70.53 -28.93 65.32 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.59 -7.88 8.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -173.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 O-C-N 121.427 -0.796 . . . . 0.0 110.837 -179.378 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -75.28 -40.74 58.4 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.83 -40.81 98.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.46 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.573 ' O ' HG13 ' B' ' 50' ' ' ILE . 37.8 ttm180 -58.06 -54.8 42.84 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.267 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' B' ' 50' ' ' ILE . 20.2 ttt180 -52.1 -50.02 62.45 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 124.535 1.134 . . . . 0.0 111.305 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.85 -48.21 78.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.103 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 12.6 tpp180 -66.25 -31.11 71.73 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.954 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -61.59 -45.21 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.33 -43.39 86.26 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.173 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 28.4 mm-40 -57.05 -44.8 83.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.981 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p -76.31 -42.07 46.45 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.575 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.55 -38.56 91.61 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.71 -49.72 71.98 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.707 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.731 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -56.02 -58.46 7.83 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.006 0.923 . . . . 0.0 109.67 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.02 -44.35 70.88 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.914 0.885 . . . . 0.0 110.725 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -60.43 -55.31 35.06 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.943 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.02 -31.61 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 28.2 mm -66.72 -55.5 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.515 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.62 -28.76 70.13 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 0.5 OUTLIER -80.54 -25.79 38.44 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.35 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.77 -32.07 25.6 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -90.18 -30.52 17.54 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.436 -0.505 . . . . 0.0 111.073 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 56.33 58.07 4.51 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.133 0.968 . . . . 0.0 110.5 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.717 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -78.27 -73.8 0.3 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.368 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -169.59 154.01 5.35 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -85.65 -21.63 28.31 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.757 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -73.64 -37.95 65.17 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -81.01 -6.49 58.85 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -81.87 -41.01 21.59 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 34.0 m -78.88 9.61 4.09 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.731 0.777 . . . . 0.0 110.723 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -139.19 30.08 2.21 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.737 1.256 . . . . 0.0 107.615 178.322 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 17.9 mt -85.07 107.49 17.2 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.835 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.58 148.61 42.77 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 27.7 ttmt -50.9 -43.11 59.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.9 71.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.154 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' B' ' 83' ' ' MET . 39.3 t0 -74.36 -39.6 62.65 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.1 mt -66.25 -52.46 47.35 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.564 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.7 mt -57.94 -52.65 64.62 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.638 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 37.9 tt0 -68.08 -28.04 67.01 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.013 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.717 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 46.3 tpp -64.4 -36.65 84.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.444 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 7.8 m -65.42 -44.56 87.01 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.765 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 44.3 t -67.68 -39.71 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.769 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 49.7 mtmt -68.28 -39.02 82.27 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 122.06 -0.4 . . . . 0.0 111.05 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' B' ' 65' ' ' LEU . 67.8 t60 -64.95 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.644 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 15.8 tp -62.88 -41.89 99.57 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.957 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 19.5 mmm180 -67.06 -40.96 87.2 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -62.14 -47.74 83.21 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.634 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 92.9 mt -64.78 -42.16 95.29 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.305 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.35 -12.02 59.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -104.18 -8.12 19.64 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.655 0.74 . . . . 0.0 111.631 174.26 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.12 36.99 1.03 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.287 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -178.177 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 CA--C 1.495 -1.164 0 CA-C-O 120.512 0.196 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.9 -21.81 59.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.225 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -42.22 54.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.302 -1.369 . . . . 0.0 107.302 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -61.33 -45.2 95.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.554 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.555 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.8 ttp180 -56.55 -54.31 47.38 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.035 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.709 ' HA ' HD12 ' A' ' 50' ' ' ILE . 47.3 ttp180 -52.77 -44.55 66.6 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.054 0.846 . . . . 0.0 112.639 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.17 94.42 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -63.73 -33.1 74.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 47' ' ' ARG . 87.6 mt -57.98 -55.27 22.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.47 -39.04 92.13 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.412 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 18.2 mm-40 -67.57 -36.53 81.1 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.193 177.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 m -76.13 -36.54 58.77 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 tt -67.79 -32.6 73.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.9 t -59.83 -53.96 51.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.988 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -70.45 -32.22 69.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.173 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.536 ' CD2' HG21 ' A' ' 84' ' ' THR . 2.0 tm? -54.07 -59.54 4.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.186 1.394 . . . . 0.0 108.229 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -58.26 -38.46 76.99 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.764 175.109 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.4 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 88.6 m -62.76 -53.6 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.069 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -28.9 66.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.562 HD11 HG23 ' A' ' 84' ' ' THR . 21.7 mm -66.59 -48.0 81.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.241 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -73.72 -20.62 60.47 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.231 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -82.46 -37.8 24.86 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 122.62 0.368 . . . . 0.0 111.938 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.49 -44.09 15.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.129 0.49 . . . . 0.0 110.353 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 87' ' ' HIS . 6.6 mp -82.66 -31.04 28.91 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.57 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 35.7 mtmt 47.86 67.78 0.77 Allowed 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 122.541 1.162 . . . . 0.0 112.251 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.3 -76.99 0.08 Allowed 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.997 -1.91 . . . . 0.0 109.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.1 t70 -176.32 152.16 1.08 Allowed 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.5 t -82.49 -24.87 33.97 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.224 0.535 . . . . 0.0 109.949 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -72.43 -45.6 58.89 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.272 0.558 . . . . 0.0 110.562 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.09 -11.21 57.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.064 -177.779 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -57.18 -43.08 82.29 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.617 0.767 . . . . 0.0 109.95 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -78.84 14.09 1.48 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.42 12.33 6.45 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-O 122.229 1.014 . . . . 0.0 109.478 173.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -81.02 111.53 17.58 Favored 'General case' 0 N--CA 1.417 -2.095 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.32 172.028 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.8 163.92 25.67 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.6 ttmt -52.59 -43.98 65.65 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -27.59 69.01 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.034 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -78.54 -43.82 25.81 Favored 'General case' 0 CA--C 1.491 -1.316 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.56 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.209 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 mp -57.43 -52.97 63.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 5.6 pt-20 -67.21 -27.13 67.0 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.819 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.6 tpp -69.62 -36.55 76.25 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.391 0.615 . . . . 0.0 109.706 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.562 HG23 HD11 ' A' ' 61' ' ' ILE . 4.0 m -68.79 -37.54 79.36 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.675 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 81' ' ' LEU . 96.8 t -63.55 -46.19 95.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.197 175.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 46.9 mttm -62.88 -40.93 99.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.145 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.434 ' CG ' HD11 ' A' ' 65' ' ' LEU . 11.5 t-160 -60.68 -33.3 72.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.651 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.506 HD22 HH11 ' A' ' 89' ' ' ARG . 4.3 tt -65.47 -44.4 87.31 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.506 HH11 HD22 ' A' ' 88' ' ' LEU . 21.8 mmm180 -66.26 -47.09 74.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.09 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.35 -45.91 87.28 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.248 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -69.2 -41.11 77.54 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.701 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -62.27 -28.18 69.53 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.31 9.7 41.56 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.8 0.809 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.441 -0.88 0 N-CA-C 111.293 0.109 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.25 -39.76 86.16 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 76.6 mtp180 -66.48 -42.67 87.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.674 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.414 ' O ' HG13 ' B' ' 50' ' ' ILE . 54.2 ttp180 -58.43 -51.24 70.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.678 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.673 ' HA ' HD12 ' B' ' 50' ' ' ILE . 40.7 ttt180 -56.38 -37.89 70.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.831 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.65 -46.26 89.56 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 4.9 mpt_? -64.94 -32.65 74.47 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.349 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' B' ' 47' ' ' ARG . 81.9 mt -58.94 -52.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.28 -46.23 91.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.466 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 44.6 mm-40 -64.8 -34.86 79.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.046 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 40.0 m -77.14 -32.26 56.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.934 -0.479 . . . . 0.0 111.195 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -75.56 -35.41 60.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.534 0.683 . . . . 0.0 109.44 -178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 p -71.27 -42.0 69.33 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.885 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.86 -33.23 75.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 7.8 tt -58.62 -56.24 24.73 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.435 1.094 . . . . 0.0 109.115 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.511 ' HE3' ' NE2' ' B' ' 72' ' ' HIS . 37.1 ttpt -52.09 -42.67 63.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.079 0.952 . . . . 0.0 110.541 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -63.44 -55.57 23.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.604 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -30.06 68.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.453 HD11 HG23 ' B' ' 84' ' ' THR . 22.2 mm -64.73 -52.23 57.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' B' ' 66' ' ' LYS . 3.6 mm? -66.36 -19.64 65.86 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.72 -0.612 . . . . 0.0 111.92 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -82.51 -34.57 27.9 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.133 0.492 . . . . 0.0 111.339 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.22 -37.59 23.38 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.0 mp -94.3 -33.34 13.26 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.653 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 62' ' ' LEU . 35.0 mtmt 49.82 67.94 0.82 Allowed 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 122.512 1.149 . . . . 0.0 112.638 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.635 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.3 mttm -82.75 -78.85 0.2 Allowed 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.372 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.521 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 10.7 m-20 -152.92 142.98 22.31 Favored 'General case' 0 CA--C 1.492 -1.254 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.8 p -86.9 -16.24 36.56 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.004 0.43 . . . . 0.0 111.583 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -79.34 -32.55 43.3 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.73 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.521 ' HG2' ' HB2' ' B' ' 68' ' ' ASP . 15.3 ptp180 -74.99 -37.03 61.96 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.511 ' NE2' ' HE3' ' B' ' 58' ' ' LYS . 3.6 t-160 -48.76 126.65 12.39 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.547 1.139 . . . . 0.0 109.83 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . 0.349 53.9 m 86.23 -27.55 0.08 Allowed 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.541 1.536 . . . . 0.0 113.739 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.548 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -90.27 -5.0 56.81 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.829 1.776 . . . . 0.0 106.88 171.444 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.483 HD23 HG12 ' B' ' 80' ' ' ILE . 14.2 tp -69.4 123.04 20.19 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.21 155.21 28.72 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.503 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 50' ' ' ILE . 34.2 ttmt -50.92 -43.28 59.92 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 123.828 0.705 . . . . 0.0 111.636 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.21 70.39 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.898 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.53 -52.08 9.01 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 75' ' ' LEU . 60.9 mt -52.83 -50.98 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.901 -1.5 . . . . 0.0 110.657 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -54.78 -53.07 59.98 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.211 0.319 . . . . 0.0 111.495 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.707 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -61.17 -37.33 82.51 Favored 'General case' 0 C--O 1.205 -1.252 0 O-C-N 123.368 0.417 . . . . 0.0 110.997 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 30.7 tpp -64.26 -38.67 91.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.553 0.692 . . . . 0.0 109.162 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.453 HG23 HD11 ' B' ' 61' ' ' ILE . 8.4 m -71.19 -41.86 69.77 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.008 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 60.9 t -59.65 -54.89 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.5 mtmt -56.1 -42.32 76.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.582 0.753 . . . . 0.0 111.531 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.563 ' CG ' HD11 ' B' ' 65' ' ' LEU . 82.0 t60 -68.22 -32.18 72.2 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.8 pp -74.1 -26.93 60.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 13.0 mmm180 -67.44 -46.84 71.9 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -54.43 -53.76 49.86 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.825 0.703 . . . . 0.0 109.689 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 95.6 mt -63.94 -17.42 63.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.509 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -82.16 -37.86 25.53 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.45 ' H ' ' HD3' ' B' ' 93' ' ' ARG . 0.0 OUTLIER -116.93 -17.32 10.43 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 117.868 -1.533 . . . . 0.0 114.719 -173.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.63 -1.23 20.71 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.67 0.748 . . . . 0.0 112.576 -173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.286 -2.162 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.424 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 CA--C 1.511 -0.55 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.22 -29.49 67.45 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.53 -41.08 76.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.17 -48.05 81.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.406 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' ILE . 20.5 ttm180 -59.23 -49.09 79.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.09 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.5 ttm180 -65.13 -35.02 79.8 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 123.942 0.897 . . . . 0.0 111.986 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.84 91.37 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -63.71 -35.55 80.93 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 47' ' ' ARG . 95.1 mt -58.07 -57.13 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 122.229 0.211 . . . . 0.0 110.437 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -60.89 -43.08 98.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.029 0.443 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 27.5 mm-40 -66.9 -34.17 77.2 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -76.41 -40.07 51.81 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.08 -43.13 96.37 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -59.72 -53.04 62.67 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.45 -29.27 67.87 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.108 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.13 -55.65 30.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.423 0.689 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -38.98 90.29 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.718 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -62.12 -58.32 8.23 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.494 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.87 -36.99 82.89 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG23 ' A' ' 84' ' ' THR . 27.7 mm -63.81 -55.79 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.8 OUTLIER -60.74 -39.46 88.75 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.662 -175.44 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.26 -24.83 59.34 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.15 -42.8 16.92 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.181 0.991 . . . . 0.0 109.713 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.88 -33.69 14.82 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.84 -171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt 57.72 73.77 0.45 Allowed 'General case' 0 CA--C 1.499 -1.003 0 CA-C-O 122.817 1.294 . . . . 0.0 110.377 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.67 -60.01 2.71 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 112.03 -2.35 . . . . 0.0 110.659 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 171.58 153.83 0.07 Allowed 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -86.31 -24.15 26.01 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.993 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -73.61 -42.67 61.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -77.17 -10.97 59.75 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.305 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.548 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 13.6 t-160 -72.91 -25.49 61.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -96.9 16.2 20.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -131.75 26.94 4.67 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.375 1.083 . . . . 0.0 108.435 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 71' ' ' ARG . 1.9 mm? -84.59 127.98 34.35 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.302 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 79' ' ' ASP . 34.4 mt-10 -106.36 154.88 20.15 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 104.759 -2.312 . . . . 0.0 104.759 175.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.4 ttmt -52.55 -47.01 67.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 118.97 0.805 . . . . 0.0 112.7 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.53 72.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.446 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 76' ' ' GLU . 25.8 t0 -74.76 -32.74 62.16 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.125 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 77' ' ' LYS . 77.1 mt -70.38 -49.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.725 177.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 64.9 mt -60.32 -53.03 62.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.556 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.1 tt0 -61.46 -34.57 75.66 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.785 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 40.2 ttp -62.09 -47.4 84.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.408 HG23 HD11 ' A' ' 61' ' ' ILE . 6.0 m -61.79 -37.92 86.16 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.311 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.555 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 47.2 t -70.41 -47.74 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.708 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -63.73 -40.32 96.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.724 0.773 . . . . 0.0 110.108 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -72.41 -25.21 61.4 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.412 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.8 tp -61.54 -40.35 94.36 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.72 -42.34 91.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.83 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.42 -50.59 73.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.737 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.38 -25.11 64.9 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -80.67 -27.85 36.97 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -3.33 54.59 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.427 -177.267 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.219 -0.529 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.08 -40.93 67.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.998 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.18 -49.6 77.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.898 0.749 . . . . 0.0 109.941 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.495 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.5 ttm180 -68.52 -46.69 68.9 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.773 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' B' ' 50' ' ' ILE . 41.2 ttm180 -53.43 -51.39 62.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.664 0.786 . . . . 0.0 112.061 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -54.68 -50.24 68.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.45 -37.89 76.39 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.928 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.6 mt -58.54 -51.8 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.49 -40.63 96.04 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 16.4 mm-40 -69.68 -39.61 76.88 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.343 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.8 p -73.52 -37.75 65.53 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 121.914 -0.491 . . . . 0.0 109.867 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.12 -38.33 90.77 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -61.58 -55.12 34.27 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.751 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.58 -32.29 73.8 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.054 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.76 -58.47 7.95 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.619 0.768 . . . . 0.0 109.572 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -53.02 -44.47 67.35 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.205 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 71.7 m -69.52 -50.01 49.15 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.761 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.57 -33.21 68.89 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.665 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mm -66.85 -48.55 79.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.537 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.5 OUTLIER -62.36 -34.39 76.59 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.22 -25.84 52.09 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.86 -29.47 40.07 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -100.96 -29.6 12.11 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.688 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt 58.24 65.66 1.24 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-O 122.72 1.248 . . . . 0.0 112.182 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.585 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 67.2 mttm -82.83 -70.52 0.55 Allowed 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.473 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -174.72 140.38 0.58 Allowed 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -80.12 -21.17 43.5 Favored 'General case' 0 N--CA 1.402 -2.851 0 O-C-N 123.721 0.638 . . . . 0.0 110.755 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 7.8 m -64.63 -49.78 69.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.773 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -20.14 61.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-O 121.332 0.587 . . . . 0.0 110.65 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.476 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.0 t-160 -76.78 -19.75 57.23 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.983 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.8 m -85.48 -10.12 56.52 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.675 0.75 . . . . 0.0 111.954 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -150.22 65.97 0.96 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 75' ' ' LEU . 15.3 tp -107.94 131.4 54.58 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.905 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.405 ' OE2' ' HE2' ' B' ' 74' ' ' LYS . 81.2 mm-40 -83.44 150.5 26.0 Favored 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.165 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.431 ' HG3' HD13 ' B' ' 81' ' ' LEU . 22.8 ttpt -56.73 -36.34 69.62 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 124.108 0.88 . . . . 0.0 112.284 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.68 71.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.421 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.414 ' CG ' HD11 ' B' ' 75' ' ' LEU . 16.0 t70 -78.69 -47.55 16.73 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.441 HG12 HD23 ' B' ' 75' ' ' LEU . 73.6 mt -54.64 -53.47 31.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.385 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -57.94 -51.12 70.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.788 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.3 tt0 -62.55 -37.29 85.55 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.75 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.585 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 42.7 tpp -64.59 -40.47 95.58 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.493 0.663 . . . . 0.0 109.768 -173.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 18.7 m -65.79 -42.4 90.81 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.214 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 81' ' ' LEU . 58.5 t -66.94 -49.31 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.265 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.4 mtmt -60.29 -41.97 94.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' B' ' 65' ' ' LEU . 69.1 t60 -69.12 -27.51 65.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.062 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.66 -35.95 77.91 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 19.9 mmm180 -73.07 -35.71 66.73 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -59.93 -41.73 92.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.87 -44.05 77.99 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.56 -28.15 68.95 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -7.33 59.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.617 . . . . 0.0 110.881 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.61 5.37 24.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.67 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 C--N 1.285 -2.214 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.775 -176.509 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.49 -31.23 71.84 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.641 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -69.44 -44.31 71.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -66.2 -45.03 82.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.0 ttm180 -61.42 -45.94 92.22 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.858 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.8 ttp180 -61.46 -38.89 88.88 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 123.533 0.521 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.44 -50.46 73.62 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.72 -39.9 86.19 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 123.386 0.429 . . . . 0.0 109.962 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.0 mt -57.35 -55.67 19.54 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 C-N-CA 123.137 0.575 . . . . 0.0 110.246 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.47 -39.98 94.83 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.649 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 45.0 mt-10 -59.15 -45.55 90.7 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 120.955 0.407 . . . . 0.0 111.037 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 -40.9 66.46 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.51 -37.96 88.31 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.373 0.669 . . . . 0.0 109.949 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 t -63.5 -52.39 61.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.22 -32.43 72.62 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.33 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.94 -56.86 15.56 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.087 0.955 . . . . 0.0 110.606 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -63.72 -31.57 72.79 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.913 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.7 m -65.81 -54.21 29.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.04 -38.62 89.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 29.9 mm -63.2 -51.03 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.2 -32.45 74.04 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.621 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 51.3 m-20 -77.76 -25.85 49.44 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.83 -18.57 37.16 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.837 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 21.2 mt -101.38 -34.86 9.43 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.276 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.621 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.7 mmpt? 60.52 39.07 18.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 124.245 0.965 . . . . 0.0 109.889 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE2' HD13 ' A' ' 65' ' ' LEU . 65.0 mttm -64.45 -74.98 0.09 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.392 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -168.09 143.35 3.68 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 36.2 t -86.86 -17.06 34.25 Favored 'General case' 0 N--CA 1.413 -2.279 0 O-C-N 123.353 0.408 . . . . 0.0 110.747 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 m -70.32 -48.01 58.48 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -75.48 -12.75 60.3 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.17 -178.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 16.7 t-80 -60.99 -37.41 82.37 Favored 'General case' 0 C--O 1.223 -0.326 0 O-C-N 123.525 0.515 . . . . 0.0 109.923 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -82.85 -1.2 51.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.249 0.547 . . . . 0.0 111.664 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.33 13.55 17.83 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 109.318 -179.153 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -81.01 111.62 17.66 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.989 175.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -83.47 164.01 20.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 ttmt -50.06 -53.07 29.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.91 67.83 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.505 0.669 . . . . 0.0 111.921 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.26 -38.57 35.16 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.574 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 65.8 mt -70.27 -52.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.143 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.2 mp -50.99 -52.92 37.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.957 0.785 . . . . 0.0 111.861 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 33.5 tt0 -67.08 -36.58 82.31 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.106 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 56.2 ttm -63.38 -37.5 87.5 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.36 0.6 . . . . 0.0 109.607 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 m -65.33 -47.96 74.7 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.336 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 46.1 t -63.04 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.3 mtmt -63.8 -34.11 77.17 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.603 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.451 ' ND1' HD21 ' A' ' 65' ' ' LEU . 42.0 t60 -73.26 -27.2 61.44 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.983 -0.448 . . . . 0.0 110.538 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.42 -36.17 76.44 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 15.1 mmm-85 -66.66 -44.87 80.71 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.029 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' HA ' ' HE ' ' A' ' 93' ' ' ARG . 96.4 m-20 -55.99 -49.39 73.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.052 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.96 -43.75 98.19 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 123.865 0.728 . . . . 0.0 110.584 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -59.8 -30.13 68.7 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.5 ppt_? -106.31 5.51 29.73 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.757 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 121.841 0.829 . . . . 0.0 109.213 177.333 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--O 1.222 -0.353 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -67.15 -46.33 74.37 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 79.5 mtp180 -61.74 -50.19 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.549 178.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' B' ' 50' ' ' ILE . 31.8 ttm180 -56.51 -53.35 58.53 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.42 ' HA ' HD12 ' B' ' 50' ' ' ILE . 31.4 ttp180 -50.91 -46.34 60.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.936 0.895 . . . . 0.0 111.331 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -58.77 -54.07 51.29 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.221 0.608 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 12.1 mpt_? -59.7 -33.31 71.43 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.591 0.557 . . . . 0.0 112.081 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.5 mt -59.64 -51.16 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.044 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -66.15 -40.61 90.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.802 0.334 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 41.5 mt-10 -60.81 -43.42 98.21 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.679 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 21.8 p -76.95 -32.55 57.38 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.094 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.24 -38.65 68.88 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.564 0.697 . . . . 0.0 109.287 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 p -66.55 -45.29 79.85 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.622 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.1 -34.31 74.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.039 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.64 -58.19 8.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.359 1.064 . . . . 0.0 111.066 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 56.6 pttt -61.6 -34.9 76.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.2 m -63.55 -53.83 45.71 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.421 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.81 -31.83 73.24 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.4 HD11 HG23 ' B' ' 84' ' ' THR . 37.1 mm -68.88 -50.92 49.95 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 CA-C-O 121.435 0.636 . . . . 0.0 110.671 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -33.06 74.47 Favored 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.66 -27.95 51.1 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.978 0.511 . . . . 0.0 111.875 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -36.35 58.53 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.784 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.0 mp -101.98 -30.08 11.42 Favored 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 118.576 -1.249 . . . . 0.0 111.802 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt 58.22 62.95 1.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.95 0.881 . . . . 0.0 111.796 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.626 ' HE2' ' SD ' ' B' ' 83' ' ' MET . 35.3 mttp -66.86 -79.12 0.05 Allowed 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 113.563 -1.653 . . . . 0.0 111.408 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 13.2 t70 -174.84 146.25 0.91 Allowed 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -88.08 -16.05 34.58 Favored 'General case' 0 N--CA 1.409 -2.491 0 C-N-CA 119.544 -0.862 . . . . 0.0 112.331 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 32.7 t -71.78 -44.55 63.81 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 9.2 ptp180 -65.3 -36.88 85.42 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.513 ' HA ' HD12 ' B' ' 75' ' ' LEU . 25.5 t60 -57.99 -28.64 64.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.069 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -83.2 -2.93 56.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.764 0.792 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -120.54 11.78 11.4 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.614 1.197 . . . . 0.0 108.352 178.231 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' B' ' 72' ' ' HIS . 33.7 mt -84.87 115.21 22.64 Favored 'General case' 0 N--CA 1.408 -2.561 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.655 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 89.6 mt-10 -92.11 166.52 12.61 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.893 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.501 ' HD2' HD13 ' A' ' 50' ' ' ILE . 32.5 ttmt -49.49 -49.88 43.86 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.533 0.733 . . . . 0.0 112.94 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.83 70.02 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.182 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 6.7 m-20 -78.62 -47.37 17.24 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.948 0.88 . . . . 0.0 108.788 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 86.6 mt -57.44 -49.47 80.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.859 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.4 mp -51.31 -52.82 41.86 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.414 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.684 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 33.0 tt0 -67.92 -33.26 74.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.888 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.626 ' SD ' ' HE2' ' B' ' 67' ' ' LYS . 50.5 tpp -63.4 -36.9 85.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.779 0.799 . . . . 0.0 109.229 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.4 HG23 HD11 ' B' ' 61' ' ' ILE . 19.3 m -65.62 -47.39 75.79 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.031 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 81' ' ' LEU . 39.6 t -64.76 -40.51 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.341 0.591 . . . . 0.0 110.528 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.6 mtmt -67.2 -35.25 79.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.057 0.456 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.586 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.9 t-160 -72.29 -27.96 62.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.89 97.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -61.06 -44.58 97.17 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.449 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 92.2 m-20 -56.08 -45.99 79.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.75 -43.34 72.44 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.693 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.52 -12.1 40.99 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -101.2 -10.21 20.59 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.646 0.736 . . . . 0.0 110.395 -176.308 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.33 -0.94 40.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.435 -1.182 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.725 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 CA--C 1.495 -1.143 0 CA-C-O 120.625 0.25 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.64 -32.43 67.93 Favored 'General case' 0 C--O 1.209 -1.031 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.708 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.33 -44.26 88.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.105 0.479 . . . . 0.0 110.644 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.23 -37.01 85.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.505 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.9 ttm180 -66.07 -46.51 77.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.815 175.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 50' ' ' ILE . 32.8 ttp180 -61.44 -39.67 91.69 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 124.473 1.109 . . . . 0.0 111.712 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.89 -47.19 83.53 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -60.6 -42.82 97.55 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.858 0.723 . . . . 0.0 110.965 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' ARG . 93.3 mt -54.46 -52.6 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 123.199 0.6 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.49 -45.19 84.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.991 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 13.3 mm-40 -63.91 -35.22 79.93 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.385 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -75.18 -48.47 23.41 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.8 tt -62.28 -36.44 82.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.737 0.779 . . . . 0.0 110.241 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -68.59 -42.52 78.08 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.062 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.67 -30.89 63.18 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.237 -0.914 . . . . 0.0 109.708 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.5 tm? -51.35 -59.37 4.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.26 1.824 . . . . 0.0 109.278 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.892 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -66.04 -54.44 25.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.758 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.88 -32.69 72.53 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.547 HG23 ' ND1' ' A' ' 87' ' ' HIS . 11.7 mm -62.41 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.011 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 ' ND1' ' A' ' 72' ' ' HIS . 7.5 tp -71.21 -31.84 68.1 Favored 'General case' 0 C--O 1.183 -2.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.382 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 -27.28 61.18 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.297 0.57 . . . . 0.0 111.593 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.94 59.12 Favored 'General case' 0 N--CA 1.423 -1.817 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.97 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' ND1' ' A' ' 87' ' ' HIS . 7.3 mp -104.64 -30.63 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt 56.38 58.93 3.9 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.048 0.939 . . . . 0.0 113.094 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.57 -72.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.566 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -162.22 144.87 11.37 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 124.182 0.993 . . . . 0.0 109.545 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 t -78.45 -32.73 48.63 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -60.31 -47.23 86.92 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.151 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.64 -16.55 59.52 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.322 -177.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.454 ' ND1' HD22 ' A' ' 62' ' ' LEU . 47.7 t60 -71.97 -30.93 65.78 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -91.59 10.5 27.78 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.403 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -131.02 24.68 4.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.01 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 38.7 mt -82.38 115.68 21.53 Favored 'General case' 0 N--CA 1.415 -2.19 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.979 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.12 151.2 31.5 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 ttmp? -54.52 -41.7 69.97 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.313 0.578 . . . . 0.0 111.466 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -26.28 65.96 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.9 -46.71 34.16 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.5 mt -58.79 -51.37 72.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.6 mp -55.61 -53.03 61.53 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.9 tt0 -62.99 -33.81 76.21 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.634 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.23 -39.86 82.2 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.519 HG21 HD21 ' A' ' 57' ' ' LEU . 12.5 m -67.64 -45.69 74.59 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.676 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 61.9 t -64.4 -41.46 92.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.588 0.709 . . . . 0.0 110.57 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.74 -39.26 87.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.211 0.529 . . . . 0.0 111.013 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 61' ' ' ILE . 34.7 m170 -67.17 -26.92 66.88 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.747 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.9 tp -58.36 -48.26 81.15 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 5.5 mpt_? -57.53 -48.71 78.55 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.865 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 93' ' ' ARG . 84.4 m-20 -54.87 -51.24 66.58 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.12 -17.22 59.69 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -74.92 -38.33 61.83 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.293 0.568 . . . . 0.0 109.875 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.6 ppt_? -100.79 17.36 22.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.055 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-O 121.508 0.67 . . . . 0.0 109.907 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 12.3 pt-20 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.27 -40.56 70.85 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.547 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -60.03 -41.63 92.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.832 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.606 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.2 ttm180 -61.32 -57.76 11.0 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.588 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' B' ' 43' ' ' GLU 0.364 15.2 ptt180 -66.31 -32.59 74.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -176.481 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -60.48 -46.42 90.17 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -31.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.606 HG13 ' O ' ' B' ' 46' ' ' ARG . 87.3 mt -58.87 -54.78 29.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -60.52 -47.79 84.62 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.083 0.153 . . . . 0.0 110.988 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 14.5 mm-40 -60.38 -40.8 92.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.912 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -76.35 -40.36 51.46 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.654 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -61.41 -39.25 90.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.952 0.901 . . . . 0.0 108.863 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -63.82 -45.78 88.08 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.841 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.27 -28.69 59.9 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.708 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' B' ' 84' ' ' THR . 2.0 tm? -54.69 -59.0 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 126.128 1.771 . . . . 0.0 107.353 174.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.41 -47.62 78.63 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.232 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -59.77 -59.87 4.74 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.585 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.63 -30.51 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 33.0 mm -66.04 -52.81 44.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.113 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.73 -22.35 62.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 12.9 t70 -78.87 -26.32 43.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.402 0.62 . . . . 0.0 111.04 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 -31.71 25.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 20.3 mt -96.09 -38.14 10.31 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 39.9 mtmt 48.44 68.89 0.62 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 112.834 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -75.45 -60.69 2.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.12 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.99 145.96 1.92 Allowed 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.2 m -87.6 -15.67 36.69 Favored 'General case' 0 C--N 1.277 -2.564 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.273 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -45.38 62.38 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -6.83 59.35 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.64 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.28 -36.12 68.25 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 36.9 m -84.1 10.58 9.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.121 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.617 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -138.81 76.58 1.58 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.702 1.239 . . . . 0.0 109.864 175.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.2 mm? -128.16 126.21 40.62 Favored 'General case' 0 N--CA 1.405 -2.707 0 CA-C-N 113.208 -1.814 . . . . 0.0 108.506 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -93.0 152.32 19.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.458 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.0 ttmt -48.05 -48.15 33.34 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.54 71.07 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.638 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.21 -39.15 33.98 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.732 -175.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 57' ' ' LEU . 63.9 mt -64.09 -49.48 81.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.341 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.37 -48.94 68.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.836 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -64.89 -39.88 94.23 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.626 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 45.3 ttm -66.33 -31.65 72.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.57 . . . . 0.0 109.571 -174.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 7.2 m -70.1 -48.48 57.47 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.841 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 46.7 t -63.41 -39.23 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.645 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.2 mtmt -68.91 -36.66 78.29 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 121.677 -0.64 . . . . 0.0 110.955 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.488 ' CD2' HD21 ' B' ' 65' ' ' LEU . 21.1 t-160 -69.5 -27.82 65.52 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.632 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.8 tp -59.82 -45.89 90.95 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.321 175.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 5.3 mpt_? -58.64 -48.42 81.09 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -54.81 -50.31 68.86 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 123.871 0.732 . . . . 0.0 111.999 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.18 -43.33 87.2 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.072 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -64.04 -14.32 53.45 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 8.3 ppt_? -113.42 7.75 17.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.178 0.513 . . . . 0.0 111.146 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.43 -11.06 38.77 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.829 0.823 . . . . 0.0 108.997 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.421 -1.878 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.9 -174.304 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 CA--C 1.507 -0.673 0 CA-C-O 120.945 0.403 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.72 -27.69 55.53 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.285 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? -69.31 -37.47 77.77 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -66.71 -44.38 81.82 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.002 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 50' ' ' ILE . 49.6 ttp180 -55.66 -51.03 68.62 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.4 ttt180 -53.26 -40.0 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.826 1.251 . . . . 0.0 112.123 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.41 -53.32 58.12 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 123.586 0.554 . . . . 0.0 110.429 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -67.27 -25.49 66.09 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.685 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 47' ' ' ARG . 82.0 mt -60.37 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -61.9 -42.96 99.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.618 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 52.8 mt-10 -56.85 -39.48 74.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.812 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -77.02 -40.11 47.7 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.108 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -63.21 -40.43 97.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.302 0.641 . . . . 0.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.24 -51.37 66.51 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.434 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' HG3' HG11 ' B' ' 85' ' ' VAL . 12.1 pt20 -68.26 -31.04 70.23 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.504 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 6.8 tt -53.32 -58.24 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.428 1.091 . . . . 0.0 109.229 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 26.6 ttpp -55.55 -47.12 76.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.597 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.2 m -61.14 -47.48 86.02 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.396 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.77 -37.85 58.87 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 34.5 mm -61.97 -44.96 99.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.147 0.499 . . . . 0.0 109.852 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.607 HD21 ' CG ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -61.47 -36.68 81.1 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.355 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 10.9 t70 -76.18 -25.0 54.78 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.977 0.418 . . . . 0.0 112.069 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.12 -26.15 31.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.428 0.632 . . . . 0.0 110.105 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD21 ' CD2' ' A' ' 87' ' ' HIS . 18.1 mt -105.12 -39.85 6.07 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.663 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.588 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 41.0 mtmt 44.19 58.82 3.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 124.502 1.121 . . . . 0.0 111.274 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HD2' ' NE2' ' A' ' 72' ' ' HIS . 93.5 mttt -67.54 -66.32 0.58 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.938 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.596 ' HB3' ' HG2' ' A' ' 71' ' ' ARG . 34.3 t0 -169.85 138.23 1.77 Allowed 'General case' 0 CA--C 1.472 -2.026 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.3 m -78.12 -21.86 49.73 Favored 'General case' 0 C--N 1.262 -3.208 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.945 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -66.15 -54.95 19.19 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.679 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -66.58 -36.58 82.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.287 0.565 . . . . 0.0 110.947 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.607 ' CG ' HD21 ' A' ' 62' ' ' LEU . 80.5 m-70 -77.6 8.58 4.19 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.2 m -105.24 9.02 34.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.867 0.841 . . . . 0.0 109.147 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -135.73 24.69 3.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.685 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.599 HD22 ' HD1' ' A' ' 72' ' ' HIS . 1.3 tp -85.22 118.53 24.83 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-O 121.741 0.781 . . . . 0.0 111.225 -175.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -76.17 157.93 32.23 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.211 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HD2' HD13 ' B' ' 50' ' ' ILE . 34.1 ttmt -51.92 -46.45 64.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.412 0.625 . . . . 0.0 110.861 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -31.59 67.43 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.18 -42.29 26.43 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.681 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.453 HG12 HD23 ' A' ' 75' ' ' LEU . 70.4 mt -63.47 -47.64 90.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.495 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.1 mp -57.27 -53.04 62.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.634 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 13.9 tt0 -56.19 -40.12 73.47 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.433 ' HB3' ' HE2' ' A' ' 83' ' ' MET . 44.2 ttp -68.05 -34.43 76.44 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.187 0.518 . . . . 0.0 109.763 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.443 HG23 HD11 ' A' ' 61' ' ' ILE . 26.3 m -69.55 -45.09 69.56 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.093 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 81' ' ' LEU . 38.5 t -67.77 -41.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.682 0.753 . . . . 0.0 110.358 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.604 ' HG2' HH21 ' A' ' 89' ' ' ARG . 62.1 mttt -72.21 -30.12 64.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.555 ' CD2' HD21 ' A' ' 65' ' ' LEU . 12.1 t-160 -69.91 -28.42 65.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.2 tt -59.07 -50.57 73.58 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.604 HH21 ' HG2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.09 -35.05 78.96 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.029 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 89.4 m-20 -63.49 -42.85 98.54 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.188 0.518 . . . . 0.0 110.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' B' ' 91' ' ' LEU . 86.9 mt -69.66 -43.22 73.0 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.934 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -66.28 -25.32 66.81 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.67 -2.89 58.83 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.266 0.555 . . . . 0.0 110.688 -178.705 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.897 0 CA-C-O 121.758 0.79 . . . . 0.0 110.008 179.816 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 CA--C 1.502 -0.867 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -71.65 -42.71 67.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.464 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -58.41 -53.63 56.09 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.436 1.085 . . . . 0.0 109.836 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 50' ' ' ILE . 36.1 ttm180 -57.64 -56.17 25.31 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.665 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -53.61 -49.39 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.887 0.875 . . . . 0.0 111.709 -176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.77 -50.8 72.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.301 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -62.53 -33.12 74.27 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 77' ' ' LYS . 95.1 mt -61.52 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -65.85 -39.92 91.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.829 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.4 mm-40 -63.81 -41.22 97.93 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.669 0.606 . . . . 0.0 112.301 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 14.5 p -75.82 -38.49 58.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.333 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.86 -35.28 80.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -64.33 -52.03 60.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.221 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.449 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.6 pt20 -67.82 -31.77 71.86 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.328 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.13 -58.12 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.062 0.945 . . . . 0.0 109.311 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -50.88 -41.89 58.63 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 125.604 1.562 . . . . 0.0 110.893 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 m -67.44 -56.21 10.53 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.517 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -38.09 81.89 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 29.3 mm -67.16 -50.03 67.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -30.38 69.39 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 119.064 -1.054 . . . . 0.0 108.868 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.621 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 65.3 m-20 -79.67 -24.95 41.45 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.29 27.26 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.649 -0.82 . . . . 0.0 112.296 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.421 HD12 ' N ' ' B' ' 65' ' ' LEU . 4.9 mp -97.27 -24.22 15.78 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.26 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.621 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 10.3 mmpt? 58.0 62.12 2.15 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.5 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.66 -78.25 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.839 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 71' ' ' ARG . 7.4 t0 176.94 150.74 0.16 Allowed 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 m -86.33 -18.57 31.59 Favored 'General case' 0 C--N 1.276 -2.596 0 O-C-N 123.469 0.481 . . . . 0.0 111.5 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -66.67 -52.24 47.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.709 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.459 ' HG2' ' HB3' ' B' ' 68' ' ' ASP . 0.2 OUTLIER -65.56 -32.82 74.62 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 121.337 0.589 . . . . 0.0 110.366 178.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.0 -15.45 61.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.783 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -66.22 -17.71 64.9 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.765 0.793 . . . . 0.0 111.224 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.521 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -142.62 73.6 1.41 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.595 174.315 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' B' ' 79' ' ' ASP . 4.2 tp -115.87 126.73 54.33 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -78.44 159.99 27.97 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 77' ' ' LYS . 30.8 ttmt -54.47 -39.74 67.76 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.586 0.708 . . . . 0.0 110.799 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.78 71.85 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.496 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.441 ' HB2' ' HG ' ' B' ' 75' ' ' LEU . 64.8 m-20 -79.09 -44.05 22.88 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.801 0.81 . . . . 0.0 109.017 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -49.06 83.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.3 mp -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.828 0.346 . . . . 0.0 110.899 176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.7 tt0 -59.86 -38.65 82.73 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.225 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 33.8 tpp -70.59 -27.34 64.03 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.338 0.59 . . . . 0.0 109.914 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.516 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 21.6 m -70.78 -44.02 67.52 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.505 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 39.1 t -70.56 -39.22 75.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.314 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.3 mttt -69.45 -35.85 76.06 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 122.091 -0.381 . . . . 0.0 111.182 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -65.4 -31.87 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.9 tp -58.29 -47.35 83.92 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.993 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -59.54 -42.29 91.98 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.193 0.308 . . . . 0.0 110.817 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -59.83 -48.78 80.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.413 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 91' ' ' LEU . 93.8 mt -72.4 -25.91 61.67 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.131 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.34 -31.38 63.94 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 120.857 0.361 . . . . 0.0 111.424 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.86 8.1 45.12 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.15 -31.15 72.24 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.696 0.76 . . . . 0.0 109.448 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.407 -2.612 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.418 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 CA--C 1.492 -1.276 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.25 -24.53 60.47 Favored 'General case' 0 C--O 1.214 -0.81 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.645 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -71.9 -44.96 62.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.26 -45.77 92.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.573 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 50' ' ' ILE . 37.2 ttm180 -57.27 -49.79 74.95 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.734 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 50' ' ' ILE . 51.0 ttt180 -55.31 -46.98 76.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.994 0.918 . . . . 0.0 111.194 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.54 85.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.45 ' HB3' ' HB1' ' B' ' 78' ' ' ALA . 0.5 OUTLIER -59.48 -38.71 81.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 122.883 0.473 . . . . 0.0 111.64 178.734 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.8 mt -60.03 -52.85 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.544 0.738 . . . . 0.0 109.732 176.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.6 -43.32 99.12 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.606 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.85 -43.23 99.36 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.713 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -73.56 -36.33 65.6 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.542 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 1.9 tt -68.72 -37.16 79.27 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -66.85 -52.44 43.59 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -62.59 -32.02 72.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.965 0.412 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 7.9 tt -57.69 -58.54 7.88 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 123.992 0.917 . . . . 0.0 110.354 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.5 -28.39 69.63 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 178.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -68.91 -53.0 23.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.172 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.28 -38.43 75.06 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 84' ' ' THR . 28.7 mm -59.57 -52.61 58.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 121.368 0.604 . . . . 0.0 111.413 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -33.03 75.01 Favored 'General case' 0 C--O 1.204 -1.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.34 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 15.5 t70 -77.38 -31.42 54.24 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.351 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.82 64.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 87' ' ' HIS . 4.6 mp -109.39 -21.41 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.55 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER 56.11 41.49 29.47 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 124.945 1.298 . . . . 0.0 109.845 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 68.1 mttm -49.67 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.642 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 14.1 t70 -172.0 140.05 1.18 Allowed 'General case' 0 CA--C 1.479 -1.777 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 m -87.86 -16.47 33.91 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 58.0 m -70.06 -40.16 75.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.108 -0.37 . . . . 0.0 110.173 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 10.4 ptp180 -72.16 -39.03 69.01 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 55.9 t60 -50.77 -39.66 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 111.811 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 p -91.12 18.2 7.15 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.409 0.623 . . . . 0.0 111.87 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -142.38 19.83 2.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.379 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 21.0 mt -76.44 123.18 25.61 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.327 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.24 150.6 23.8 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.7 ttmt -47.47 -45.63 26.26 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.29 74.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.01 -40.49 53.47 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.914 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.3 mt -62.34 -47.52 92.67 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.211 -1.358 . . . . 0.0 110.642 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 70.0 mt -59.62 -51.89 67.86 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.059 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 15.8 tt0 -58.63 -38.87 78.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.458 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.409 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 36.3 tpp -63.45 -35.47 80.55 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.979 0.895 . . . . 0.0 108.842 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 61' ' ' ILE . 18.4 m -75.48 -43.7 47.9 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.887 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.7 t -64.0 -46.2 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 109.913 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 37.8 mttm -63.37 -32.96 74.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.341 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' HD11 ' A' ' 65' ' ' LEU . 11.6 t-160 -72.39 -29.64 63.94 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.213 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.1 pp -72.73 -29.03 63.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 7.4 mmm-85 -64.78 -45.47 86.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.68 -50.76 72.59 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' B' ' 91' ' ' LEU . 40.0 mt -61.55 -41.99 98.17 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.857 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.37 -27.78 69.31 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -4.13 26.28 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.457 0.646 . . . . 0.0 111.386 -177.904 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 120.333 0.111 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -70.92 -43.33 68.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -59.77 -46.27 89.68 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.163 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.633 ' O ' HG13 ' B' ' 50' ' ' ILE . 21.9 ttm180 -57.03 -56.26 24.1 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 124.107 0.879 . . . . 0.0 109.427 174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' B' ' 50' ' ' ILE . 46.4 ttp180 -54.98 -46.78 75.13 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -60.46 -46.47 89.93 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.97 -26.96 64.34 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.208 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.4 mt -59.88 -50.89 78.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.18 -44.38 95.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.929 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 47.9 mt-10 -55.55 -47.74 75.87 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.236 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -74.76 -44.15 51.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.283 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.83 -41.1 99.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.765 0.426 . . . . 0.0 110.135 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -61.34 -53.64 54.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.183 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -30.61 69.53 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.183 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.54 -58.04 9.75 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.79 -42.2 75.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.063 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -62.52 -57.58 10.68 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.178 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.83 -34.08 77.34 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.957 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.459 HD11 HD22 ' A' ' 88' ' ' LEU . 26.7 mm -64.71 -47.56 88.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.552 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.406 ' O ' HD13 ' B' ' 62' ' ' LEU . 1.0 OUTLIER -66.79 -26.97 67.21 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.548 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.469 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 29.3 t70 -82.71 -31.18 28.64 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.379 0.609 . . . . 0.0 112.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.1 41.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.218 0.532 . . . . 0.0 110.508 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.5 mp -97.3 -38.14 9.78 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.726 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 30.8 mtmt 54.79 69.34 0.74 Allowed 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.986 0.898 . . . . 0.0 111.864 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -75.81 -73.09 0.28 Allowed 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.511 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.4 149.49 7.09 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -87.04 -15.46 38.55 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.721 0.638 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -77.05 -43.11 35.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.481 0.658 . . . . 0.0 109.319 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -10.92 60.05 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.825 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.68 ' HA ' HD23 ' B' ' 75' ' ' LEU . 76.9 t60 -65.87 -30.27 70.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.01 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -79.36 -4.32 50.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.651 0.739 . . . . 0.0 111.505 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -121.59 27.26 8.32 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.532 1.158 . . . . 0.0 108.484 -176.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -79.74 119.17 22.29 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.976 174.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.96 151.62 19.42 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.499 ' HD2' HD13 ' A' ' 50' ' ' ILE . 33.8 ttmt -52.01 -45.7 64.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 118.75 0.705 . . . . 0.0 110.931 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -61.91 -30.5 70.93 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.639 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -79.79 -42.14 25.04 Favored 'General case' 0 C--O 1.198 -1.652 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 77' ' ' LYS . 75.3 mt -58.74 -53.26 49.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.516 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.522 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.9 mp -55.91 -52.54 63.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.497 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 22.1 tt0 -61.02 -37.35 82.25 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.555 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.16 -32.63 74.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.588 0.708 . . . . 0.0 109.209 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.402 ' OG1' HG13 ' B' ' 61' ' ' ILE . 24.6 m -74.99 -43.72 52.3 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.993 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 81' ' ' LEU . 59.5 t -66.66 -41.76 88.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 79.3 mttt -65.39 -32.05 73.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.507 ' CE1' HD11 ' B' ' 91' ' ' LEU . 11.8 t-80 -66.21 -34.52 78.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.079 174.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -61.27 -43.99 97.97 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' B' ' 86' ' ' LYS . 14.7 mmm-85 -64.39 -43.98 92.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.064 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 80.1 m-20 -58.37 -50.32 74.1 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' B' ' 87' ' ' HIS . 94.7 mt -63.9 -42.77 97.37 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.967 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -69.66 -12.21 61.45 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -105.22 1.31 28.07 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.442 0.639 . . . . 0.0 110.996 -178.656 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.64 11.91 25.02 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.45 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.25 1.108 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -178.248 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.74 -24.44 58.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -69.92 -42.75 72.9 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 79.8 mtp180 -57.5 -43.63 84.36 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.531 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -63.59 -52.01 62.82 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.574 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HA ' HD12 ' A' ' 50' ' ' ILE . 53.3 ttt180 -54.01 -45.84 71.61 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 123.568 0.747 . . . . 0.0 111.107 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.67 -49.1 78.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.981 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ARG . 38.3 mtm180 -61.61 -35.93 79.26 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 123.282 0.364 . . . . 0.0 111.395 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.5 mt -57.98 -52.38 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.13 -41.65 99.35 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 34.5 mm-40 -59.45 -41.97 90.88 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.439 0.462 . . . . 0.0 111.874 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 18.1 m -76.48 -41.91 45.49 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -64.29 -42.39 96.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.581 0.752 . . . . 0.0 110.073 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 m -68.53 -42.17 78.87 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.055 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.35 -31.18 65.4 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.83 -0.544 . . . . 0.0 110.175 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 2.0 tm? -53.57 -58.72 6.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.856 1.662 . . . . 0.0 108.067 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -55.4 -50.28 70.16 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.267 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.4 m -56.57 -58.09 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.302 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.51 -32.8 74.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.54 HD11 HG23 ' A' ' 84' ' ' THR . 45.8 mm -69.44 -49.71 57.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 20.4 t70 -78.63 -39.13 38.01 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 123.913 0.885 . . . . 0.0 112.549 -178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -37.46 59.95 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.115 0.483 . . . . 0.0 110.794 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 87' ' ' HIS . 6.0 mp -94.2 -28.15 15.8 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.708 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 27.3 mtmt 52.39 58.37 5.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 123.052 1.406 . . . . 0.0 109.049 -176.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 30.0 mmmt -51.23 -70.44 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 110.783 -2.917 . . . . 0.0 111.209 -175.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 34.2 t70 178.5 147.5 0.17 Allowed 'General case' 0 CA--C 1.467 -2.225 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -87.21 -20.56 26.77 Favored 'General case' 0 N--CA 1.399 -2.992 0 O-C-N 123.611 0.569 . . . . 0.0 111.852 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 70.4 m -78.41 -37.7 43.25 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.283 0.564 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.23 -6.58 59.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.492 0.663 . . . . 0.0 110.315 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 25.1 t-80 -90.22 170.36 10.35 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m 76.15 -54.25 0.6 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.939 1.295 . . . . 0.0 111.924 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 38.81 1.28 Allowed 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 13.2 tp -94.26 110.8 22.52 Favored 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 112.967 -1.924 . . . . 0.0 106.23 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.64 149.6 41.89 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.918 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.2 ttmt -48.57 -44.92 37.13 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 123.843 0.857 . . . . 0.0 112.746 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.97 72.0 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.903 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.24 -36.52 39.82 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.662 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 95.5 mt -60.52 -54.59 32.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.036 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 77' ' ' LYS . 9.0 mp -55.15 -52.88 61.87 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.901 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 pt-20 -71.48 -23.8 61.88 Favored 'General case' 0 C--O 1.189 -2.114 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.536 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 38.6 tpp -64.51 -42.91 95.51 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.664 0.745 . . . . 0.0 109.052 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.571 HG21 ' CD2' ' A' ' 57' ' ' LEU . 6.2 m -60.63 -44.09 96.76 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.523 176.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 87.4 t -61.35 -41.7 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.434 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 52.4 mttm -65.33 -42.89 92.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.508 ' CD2' HD21 ' B' ' 88' ' ' LEU . 27.2 t60 -66.77 -26.95 67.21 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.511 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 13.8 tp -63.46 -43.14 98.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 11.2 mmm-85 -65.54 -43.51 89.72 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.111 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -55.82 -55.14 36.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.071 0.857 . . . . 0.0 111.022 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.99 -35.43 80.67 Favored 'General case' 0 C--O 1.205 -1.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.382 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -67.41 -23.5 65.56 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 8.4 ppt_? -111.9 16.12 20.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.273 0.558 . . . . 0.0 111.419 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.598 0.714 . . . . 0.0 110.441 178.012 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -72.22 -41.8 66.47 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -59.08 -48.93 79.81 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 50' ' ' ILE . 33.3 ttm180 -60.3 -55.04 38.56 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.101 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.9 ttt180 -51.79 -47.78 64.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.61 0.764 . . . . 0.0 110.498 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.83 -52.76 63.83 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.905 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -64.28 -31.33 72.48 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 123.144 0.277 . . . . 0.0 110.985 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.2 mt -61.49 -49.45 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.31 0.576 . . . . 0.0 109.507 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -66.2 -39.03 89.37 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.274 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.7 mm-40 -58.46 -44.19 89.15 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 123.565 0.54 . . . . 0.0 111.099 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.3 p -76.04 -43.29 44.63 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.404 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.31 -42.71 96.12 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.564 0.697 . . . . 0.0 109.487 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.5 m -65.73 -48.11 73.06 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.786 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.32 -29.65 66.43 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.481 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -55.83 -58.41 7.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.071 0.948 . . . . 0.0 110.69 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' B' ' 80' ' ' ILE . 59.5 pttt -63.1 -36.26 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -59.17 -57.17 14.23 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 123.899 0.749 . . . . 0.0 110.65 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.22 -36.35 74.49 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mm -63.09 -49.56 82.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.451 0.643 . . . . 0.0 110.562 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -34.91 78.77 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.534 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.3 t70 -77.41 -25.67 50.96 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 123.289 0.636 . . . . 0.0 111.798 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.29 -36.66 63.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.964 0.411 . . . . 0.0 110.232 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.406 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -96.18 -32.21 12.59 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.759 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 24.5 mtmt 55.89 58.42 4.44 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-O 122.618 1.199 . . . . 0.0 109.751 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -63.59 -69.68 0.26 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 112.347 -2.206 . . . . 0.0 111.189 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' B' ' 70' ' ' SER . 13.7 t70 179.98 147.25 0.26 Allowed 'General case' 0 CA--C 1.47 -2.1 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -86.77 -23.95 25.25 Favored 'General case' 0 N--CA 1.399 -3.011 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.98 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' SER . . . . . 0.524 ' HB2' ' OD2' ' B' ' 68' ' ' ASP . 35.2 m -69.11 -43.28 74.79 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.173 0.511 . . . . 0.0 109.721 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.53 HH12 HD21 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -76.23 -9.55 58.72 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.067 176.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -86.97 -22.76 25.38 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 39.0 m -90.03 6.43 42.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.633 0.73 . . . . 0.0 110.982 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -141.19 74.4 1.46 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.433 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.53 HD21 HH12 ' B' ' 71' ' ' ARG . 28.5 mt -135.12 124.6 24.94 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.565 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -88.28 157.97 18.6 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.478 ' O ' HD13 ' B' ' 81' ' ' LEU . 31.9 ttmt -50.84 -46.09 59.96 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.128 0.571 . . . . 0.0 112.175 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.87 71.6 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.84 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -75.96 -39.96 54.93 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.143 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' B' ' 58' ' ' LYS . 80.7 mt -61.13 -48.16 90.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.087 176.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 77' ' ' LYS . 7.0 mp -58.46 -51.31 70.39 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.647 177.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.4 tt0 -62.79 -38.25 89.92 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.824 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.8 ttp -61.39 -37.29 82.89 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.505 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 27.3 m -67.13 -49.87 63.34 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.689 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.0 t -60.53 -46.45 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 121.144 0.497 . . . . 0.0 110.677 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.9 mtmt -64.31 -37.88 89.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.128 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.47 ' HA ' ' ND2' ' B' ' 90' ' ' ASN . 26.6 t60 -67.4 -29.58 69.12 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.307 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 87' ' ' HIS . 1.1 tm? -67.34 -35.65 79.83 Favored 'General case' 0 N--CA 1.418 -2.038 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -68.79 -35.19 76.72 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.647 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' B' ' 93' ' ' ARG . 59.2 m-20 -62.04 -46.64 88.29 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.898 0.856 . . . . 0.0 109.158 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.515 HD22 HE22 ' B' ' 95' ' ' GLN . 94.4 mt -66.16 -39.74 90.02 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.877 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.91 -17.22 63.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -96.48 -23.39 16.59 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 116.27 -2.172 . . . . 0.0 109.973 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.48 -17.66 21.3 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' GLN . . . . . 0.515 HE22 HD22 ' B' ' 91' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.309 -1.194 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 CA--C 1.507 -0.683 0 CA-C-O 120.569 0.223 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.0 -24.94 59.65 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.406 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -75.62 -37.25 59.89 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.345 0.593 . . . . 0.0 109.574 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.23 -44.77 71.33 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.304 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.1 ttm180 -58.99 -47.22 85.97 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.272 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -51.83 -48.1 64.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.185 0.994 . . . . 0.0 111.382 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.64 -48.28 79.91 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -61.61 -43.37 98.98 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.691 0.62 . . . . 0.0 111.075 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' ARG . 88.4 mt -54.99 -52.68 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 121.156 0.503 . . . . 0.0 110.422 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.33 -44.1 97.28 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 37.8 mm-40 -64.63 -37.4 87.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 p -77.26 -34.96 55.67 Favored 'General case' 0 N--CA 1.427 -1.605 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.272 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -73.52 -37.2 65.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.614 0.721 . . . . 0.0 109.403 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -70.65 -41.43 72.13 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.597 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.36 -31.56 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 9.3 tt -56.52 -58.25 8.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 110.233 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -60.75 -36.92 80.13 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.145 0.278 . . . . 0.0 110.982 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -64.0 -51.96 61.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.278 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.16 -27.74 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.416 HD11 HG23 ' A' ' 84' ' ' THR . 24.4 mm -69.78 -55.53 14.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 CA-C-O 121.207 0.527 . . . . 0.0 109.935 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -31.35 67.28 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.771 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 11.8 t70 -81.66 -27.71 33.92 Favored 'General case' 0 C--O 1.203 -1.378 0 C-N-CA 123.425 0.69 . . . . 0.0 111.67 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.85 61.49 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.438 -0.789 . . . . 0.0 111.569 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.7 mp -115.98 -37.97 3.75 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.91 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.771 ' HE3' ' O ' ' A' ' 63' ' ' ASP 0.315 92.0 mttt 69.43 75.61 0.23 Allowed 'General case' 0 CA--C 1.468 -2.2 0 CA-C-O 123.667 1.699 . . . . 0.0 112.154 -176.057 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.21 -71.03 0.43 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 110.931 -2.85 . . . . 0.0 109.657 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.549 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 38.5 t70 -173.45 126.84 0.42 Allowed 'General case' 0 CA--C 1.467 -2.217 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 30.7 p -84.34 -15.4 46.62 Favored 'General case' 0 N--CA 1.4 -2.958 0 C-N-CA 120.025 -0.67 . . . . 0.0 112.175 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.549 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 44.9 m -71.75 -43.52 65.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.516 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -75.38 -12.53 60.27 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 120.807 0.337 . . . . 0.0 110.458 176.751 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.831 ' HA ' HD23 ' A' ' 75' ' ' LEU . 40.8 t-80 -65.76 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 109.528 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.3 m -82.47 -0.36 46.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.892 0.853 . . . . 0.0 110.349 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.67 19.51 6.16 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -81.67 119.33 23.69 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.665 -178.564 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 80' ' ' ILE . 80.4 mt-10 -97.37 152.43 18.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.0 ttpt -47.84 -46.92 31.51 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.2 73.65 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.131 0.491 . . . . 0.0 112.007 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.38 -39.22 59.41 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.531 HG13 HD12 ' A' ' 75' ' ' LEU . 70.0 mt -66.01 -51.45 60.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.196 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 mp -53.53 -53.39 52.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.896 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.1 tt0 -63.51 -35.51 80.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.2 ttm -65.11 -37.66 88.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.737 0.779 . . . . 0.0 109.339 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.416 HG23 HD11 ' A' ' 61' ' ' ILE . 25.3 m -71.92 -43.11 65.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.464 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 40.7 t -64.04 -45.96 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 72.2 mttt -65.72 -36.4 83.51 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.495 -178.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -70.44 -26.34 63.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.25 -34.44 74.79 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 22.7 mmm180 -67.46 -38.16 84.04 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.66 -51.55 69.46 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.291 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.03 -32.88 74.61 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.447 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 11.8 mm-40 -72.97 -11.84 60.72 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -2.4 12.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.898 0 C-N-CA 125.842 1.657 . . . . 0.0 111.279 179.772 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 120.366 0.127 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -74.77 -42.43 58.17 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -60.65 -43.83 97.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.853 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.474 ' O ' HG13 ' B' ' 50' ' ' ILE . 39.5 ttm180 -61.54 -50.44 72.68 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.778 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' B' ' 50' ' ' ILE . 73.4 ttt180 -55.63 -48.48 74.88 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.411 0.685 . . . . 0.0 111.576 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.03 -48.55 81.19 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.974 0.509 . . . . 0.0 110.052 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -37.31 83.22 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.493 HD13 ' HE3' ' A' ' 77' ' ' LYS . 96.7 mt -57.96 -53.2 48.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 123.106 0.563 . . . . 0.0 109.877 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -56.81 -47.35 80.46 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 65.5 mm-40 -58.24 -41.21 83.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.247 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -76.08 -37.81 57.77 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.754 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -72.69 -37.45 67.87 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.74 -42.98 97.77 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.347 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.04 -34.78 71.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.092 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.2 tt -55.3 -58.25 8.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.537 1.135 . . . . 0.0 109.154 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -47.97 -46.22 32.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 125.446 1.499 . . . . 0.0 111.407 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -70.85 -50.29 36.89 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.279 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.4 mt -69.42 -30.55 68.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' B' ' 61' ' ' ILE . 20.1 mm -66.46 -48.24 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.673 175.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -38.38 79.82 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.757 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 42.6 m-20 -77.7 -24.39 49.26 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -27.89 61.16 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 120.913 -1.117 . . . . 0.0 111.487 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 65' ' ' LEU . 3.3 mp -110.09 -30.11 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.07 -177.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.757 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 66.9 mmtt 64.11 69.57 0.53 Allowed 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 122.186 0.994 . . . . 0.0 110.718 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -84.89 -83.88 0.16 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.33 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.512 ' HB2' ' HG3' ' B' ' 71' ' ' ARG . 3.3 m-20 -157.66 143.0 17.03 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.074 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.5 p -86.73 -21.04 26.84 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.362 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -74.81 -45.0 46.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.867 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.512 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -84.76 -2.64 57.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.809 -178.18 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.515 ' HA ' HD12 ' B' ' 75' ' ' LEU . 3.2 t-160 -55.96 -42.64 76.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.4 p -91.99 9.02 34.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.458 0.647 . . . . 0.0 112.176 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -113.96 9.56 17.44 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 123.393 1.568 . . . . 0.0 108.31 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' B' ' 72' ' ' HIS . 3.2 mt -89.78 119.96 30.62 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.537 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -80.95 158.58 25.18 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.482 ' O ' HD13 ' B' ' 81' ' ' LEU . 19.5 ttmm -49.84 -52.6 31.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.204 0.602 . . . . 0.0 112.249 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.04 -30.19 64.03 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.227 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.06 -44.48 22.07 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.931 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.4 -50.51 80.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.227 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 85' ' ' VAL . 8.3 mp -52.86 -53.0 55.25 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.548 0.53 . . . . 0.0 110.719 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 12.7 tt0 -65.1 -34.49 78.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.31 -35.64 78.11 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.858 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 81' ' ' LEU . 43.9 t -66.79 -43.08 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 63.6 mttt -68.81 -31.82 71.08 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -71.32 -27.7 63.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.78 0.324 . . . . 0.0 110.132 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 3.7 tt -63.29 -42.41 99.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.434 HH11 HD22 ' B' ' 88' ' ' LEU . 18.2 mmm180 -65.22 -42.58 93.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.165 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.77 -49.17 77.47 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.762 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.14 -48.12 81.51 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.278 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.56 -16.41 47.67 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -107.46 0.07 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 111.227 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.78 10.03 38.71 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.435 -1.188 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.05 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 CA--C 1.496 -1.134 0 CA-C-O 120.637 0.256 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.38 -23.56 59.01 Favored 'General case' 0 C--O 1.197 -1.7 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.975 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -75.48 -41.28 55.89 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -63.31 -43.52 97.59 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.36 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.6 ttm180 -62.63 -48.39 79.6 Favored 'General case' 0 C--O 1.197 -1.699 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.143 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.1 ttm180 -57.58 -43.55 84.68 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.554 1.142 . . . . 0.0 111.505 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.42 -49.8 75.96 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -62.97 -36.22 82.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.684 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 46' ' ' ARG . 89.8 mt -57.37 -53.66 41.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 C-N-CA 123.158 0.583 . . . . 0.0 109.648 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -60.04 -48.36 82.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.723 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 10.5 mm-40 -60.43 -40.69 91.98 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 123.664 0.602 . . . . 0.0 112.143 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.0 t -77.05 -39.04 51.39 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 121.953 -0.467 . . . . 0.0 110.786 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.5 tt -65.4 -44.23 88.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -62.62 -44.57 95.95 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.53 -25.95 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.627 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.72 -56.31 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.969 0.507 . . . . 0.0 109.814 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.61 -37.17 72.83 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.206 0.316 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -60.68 -51.68 68.32 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.54 -40.37 73.47 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.64 -48.04 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.215 0.531 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 72' ' ' HIS . 3.9 mm? -71.08 -19.95 62.41 Favored 'General case' 0 C--O 1.192 -1.956 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.522 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 8.3 t70 -82.51 -29.94 30.14 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.74 0.781 . . . . 0.0 109.267 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.27 -35.55 58.86 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' ND1' ' A' ' 87' ' ' HIS . 5.1 mp -108.57 -34.93 6.59 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.199 -1.001 . . . . 0.0 112.831 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 34.8 mtmt 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.691 0.758 . . . . 0.0 112.19 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.28 -62.3 1.7 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.283 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 10.1 m-20 -151.5 139.13 19.67 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.433 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 p -79.41 -31.87 42.81 Favored 'General case' 0 C--N 1.283 -2.294 0 O-C-N 124.001 0.813 . . . . 0.0 109.595 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -66.18 -37.69 86.23 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.059 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 15.2 ptp180 -69.5 -42.6 74.53 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 24.1 t-80 -55.69 -40.66 72.65 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.724 1.21 . . . . 0.0 111.401 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -79.83 1.44 26.93 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 44.11 0.57 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 123.071 1.415 . . . . 0.0 108.617 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 12.4 mt -81.01 118.86 22.84 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.523 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.38 155.03 20.76 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 20.1 ttmm -44.36 -54.93 5.37 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -54.83 -33.61 61.87 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 124.35 1.06 . . . . 0.0 112.464 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.79 -34.82 39.35 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.994 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.552 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 62.7 mt -72.95 -50.61 31.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.238 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 47.7 mt -54.73 -48.85 72.05 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 123.989 0.806 . . . . 0.0 109.335 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 28.0 tt0 -57.38 -49.0 77.59 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.423 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 tpp -53.65 -40.26 65.72 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 124.81 1.244 . . . . 0.0 110.863 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -46.43 78.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 110.752 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.727 HG22 HD23 ' B' ' 57' ' ' LEU . 24.9 t -58.07 -44.11 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.625 1.203 . . . . 0.0 108.613 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 12.5 mmtp -65.92 -37.24 85.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.932 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.518 ' ND1' HD11 ' A' ' 65' ' ' LEU . 75.6 t60 -73.14 -27.9 61.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.156 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.9 tm? -57.94 -50.99 71.5 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 175.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.9 mpt_? -58.99 -45.27 91.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 123.318 0.386 . . . . 0.0 110.725 177.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.41 -52.12 64.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 123.698 0.624 . . . . 0.0 111.512 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.1 mt -71.63 -17.71 62.25 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -86.42 -21.67 26.99 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.174 0.511 . . . . 0.0 112.056 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.5 ppt_? -110.7 9.62 22.8 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.237 0.541 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.462 0.649 . . . . 0.0 110.012 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 120.418 0.151 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -69.7 -42.08 74.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.498 0.666 . . . . 0.0 109.482 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.705 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.53 ' O ' HG13 ' B' ' 50' ' ' ILE . 45.2 ttp180 -58.92 -53.9 53.24 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' B' ' 50' ' ' ILE . 61.7 ttp180 -49.18 -47.98 45.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.927 1.291 . . . . 0.0 111.518 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -61.07 -49.32 77.82 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' A' ' 82' ' ' GLU . 52.4 ttt180 -61.92 -30.86 71.18 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.568 0.543 . . . . 0.0 110.239 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.8 mt -61.87 -56.98 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -61.21 -45.29 95.2 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.977 0.418 . . . . 0.0 110.549 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 39.3 mt-10 -62.52 -42.0 99.22 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.146 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -76.78 -38.17 54.54 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.884 -0.726 . . . . 0.0 111.113 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -41.16 89.99 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 33.0 t -70.43 -42.67 71.25 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.68 -28.91 67.29 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.323 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.727 HD23 HG22 ' A' ' 85' ' ' VAL . 3.1 tm? -63.48 -59.43 4.67 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.175 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.19 44.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -66.83 -59.81 3.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.317 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -40.4 95.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.476 ' O ' HD13 ' B' ' 65' ' ' LEU . 48.8 mm -63.67 -50.49 77.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.068 0.461 . . . . 0.0 110.869 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.08 74.28 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.567 -175.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.645 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 11.7 m-20 -77.84 -27.97 50.02 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.42 -37.26 25.75 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.104 -1.039 . . . . 0.0 110.818 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.5 mp -88.71 -28.19 20.71 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.024 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.645 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 58.01 66.03 1.19 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.548 1.155 . . . . 0.0 110.512 178.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -76.36 -71.56 0.38 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.976 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -172.75 145.53 1.5 Allowed 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -76.05 -28.89 57.83 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 123.711 0.632 . . . . 0.0 110.939 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -72.78 -38.43 67.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.577 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -80.15 -16.55 54.65 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.833 -178.81 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -67.78 -42.41 81.71 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 173.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -83.97 7.8 17.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.432 0.634 . . . . 0.0 111.014 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.633 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -127.57 23.88 6.25 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.981 1.372 . . . . 0.0 107.49 178.216 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 34.7 mt -82.04 98.1 8.46 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.849 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.16 162.96 23.42 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.7 ttmt -52.11 -47.63 65.2 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -26.65 68.57 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.729 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -43.67 55.06 Favored 'General case' 0 CA--C 1.484 -1.568 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.608 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 57.2 mt -66.23 -51.52 58.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.445 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 72.1 mt -53.48 -50.81 64.57 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 123.89 0.744 . . . . 0.0 110.617 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 25.0 tt0 -60.18 -42.33 94.78 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.127 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.82 -34.71 76.43 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -173.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.605 ' CG2' HD21 ' B' ' 57' ' ' LEU . 0.2 OUTLIER -66.74 -47.15 73.14 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 81' ' ' LEU . 48.0 t -59.56 -42.44 88.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 121.987 0.899 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.7 mtmt -65.66 -34.56 78.5 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.545 177.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -34.54 78.53 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.1 -47.81 84.36 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -57.62 -47.68 81.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.434 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.68 -56.32 22.7 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.665 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 64.9 mt -64.78 -34.98 79.63 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.883 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -62.52 -33.76 75.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.816 0.341 . . . . 0.0 111.795 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.76 -6.25 43.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.05 62.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.376 0.607 . . . . 0.0 110.44 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.037 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 CA--C 1.503 -0.856 0 CA-C-O 120.907 0.384 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.16 -16.75 56.16 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.883 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -37.4 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 172.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -67.17 -42.62 83.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.515 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 ttm180 -64.17 -40.45 96.15 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.799 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.5 ttp180 -55.71 -44.15 77.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.343 0.657 . . . . 0.0 110.122 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -56.61 -51.95 66.72 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.8 -39.3 77.23 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.516 0.51 . . . . 0.0 111.398 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.8 mt -58.73 -53.32 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 O-C-N 123.403 0.44 . . . . 0.0 110.013 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.55 -45.5 93.9 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 120.994 0.426 . . . . 0.0 110.586 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 40.8 mt-10 -60.94 -42.56 98.41 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.939 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -76.86 -35.0 57.79 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.498 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.73 -40.15 69.6 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -64.34 -49.47 71.54 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.407 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 10.5 pt20 -67.41 -30.56 70.35 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.55 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.89 -57.35 13.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -52.75 -44.47 66.48 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.648 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.9 m -65.4 -50.26 66.17 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.094 -174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 79.4 mt -73.05 -30.7 63.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -175.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 61' ' ' ILE . 25.7 mm -66.59 -46.51 85.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.065 0.459 . . . . 0.0 110.173 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -20.77 64.34 Favored 'General case' 0 C--O 1.197 -1.702 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.45 -31.26 29.55 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.665 0.786 . . . . 0.0 111.037 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.99 -36.78 24.77 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.475 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.8 mp -95.62 -37.06 11.0 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.236 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 55.06 67.02 1.08 Allowed 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 122.438 1.113 . . . . 0.0 111.982 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 66.9 mttm -78.57 -71.33 0.44 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.62 152.12 3.08 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -87.23 -20.17 27.31 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.566 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -71.39 -45.95 61.49 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -73.35 -17.94 61.24 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.661 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -72.87 -34.85 67.0 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 m -80.32 -8.81 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.551 0.691 . . . . 0.0 111.107 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -117.38 19.82 13.88 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 122.915 1.341 . . . . 0.0 108.026 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 17.0 mt -83.28 109.58 17.37 Favored 'General case' 0 N--CA 1.411 -2.383 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -80.09 156.86 26.86 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-N 114.229 -1.35 . . . . 0.0 108.097 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 28.5 ttpt -52.93 -42.14 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.429 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -59.61 -35.03 73.53 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.309 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.02 -43.56 24.05 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.735 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.3 mt -59.04 -51.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 83.5 mt -58.64 -50.49 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.5 tt0 -61.08 -37.36 82.43 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.826 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.628 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 47.6 tpp -64.79 -38.08 89.78 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.428 0.632 . . . . 0.0 109.511 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 m -66.96 -39.16 87.18 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.659 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.605 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 46.7 t -71.81 -42.66 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 110.158 178.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.7 mtmt -65.94 -36.78 84.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.963 0.411 . . . . 0.0 110.977 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 65' ' ' LEU . 80.8 t60 -70.93 -27.14 63.55 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.795 0.331 . . . . 0.0 110.152 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.8 tp -62.36 -40.09 95.28 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -65.02 -42.68 94.19 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.149 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 93' ' ' ARG . 62.7 m-20 -59.98 -46.14 90.41 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.529 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.45 -43.85 76.17 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.029 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -63.05 -17.32 62.12 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -104.5 -14.42 15.69 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 116.454 -2.098 . . . . 0.0 109.035 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.076 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.87 -178.044 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -74.69 -45.0 47.31 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 -58.56 -43.31 89.31 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.313 0.578 . . . . 0.0 110.041 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.504 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.7 ttm105 -62.41 -54.55 38.58 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.708 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' B' ' 50' ' ' ILE . 26.4 ttt85 -54.77 -47.19 74.23 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.072 0.949 . . . . 0.0 111.501 -177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.94 71.64 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 123.207 0.603 . . . . 0.0 109.956 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -66.08 -30.99 71.6 Favored 'General case' 0 C--O 1.205 -1.253 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.383 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -59.02 -56.96 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.948 0.404 . . . . 0.0 110.09 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -61.28 -43.01 99.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.465 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -66.84 -37.8 85.17 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 28.6 p -75.74 -41.6 52.85 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.761 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.48 -38.63 87.99 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.6 0.563 . . . . 0.0 109.65 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 14.3 t -66.41 -51.39 57.47 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.87 -30.34 69.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.606 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.28 -54.88 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.491 1.116 . . . . 0.0 108.739 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 55' ' ' SER . 5.0 ttpm? -48.17 -48.69 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.777 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 32.9 m -67.63 -55.2 14.25 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 114.563 -1.198 . . . . 0.0 111.479 -172.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.51 -35.97 81.57 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.59 ' O ' HD12 ' B' ' 65' ' ' LEU . 28.4 mm -66.81 -56.44 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 O-C-N 123.238 0.336 . . . . 0.0 110.492 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.14 -36.19 79.12 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.524 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.6 OUTLIER -73.71 -25.42 60.21 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.004 -177.678 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -29.47 45.15 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.754 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.59 HD12 ' O ' ' B' ' 61' ' ' ILE . 4.1 mp -91.57 -31.38 15.93 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 118.4 -1.32 . . . . 0.0 109.317 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' B' ' 66' ' ' LYS . 9.5 mmpt? 64.02 66.02 0.67 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 124.53 1.144 . . . . 0.0 109.418 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.741 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -79.68 -69.78 0.56 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.477 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -179.09 146.51 0.3 Allowed 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.6 m -75.4 -22.9 57.08 Favored 'General case' 0 N--CA 1.4 -2.937 0 O-C-N 123.905 0.753 . . . . 0.0 112.118 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -70.56 -46.22 63.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.61 -7.24 57.41 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.472 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -85.65 -27.57 25.31 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.4 m -92.63 -4.58 53.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.1 0.952 . . . . 0.0 109.902 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.3 24.97 11.2 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 25.1 mt -85.1 112.28 20.52 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.946 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -90.43 158.69 16.95 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.8 ttmt -51.63 -45.99 63.48 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.159 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.2 -43.97 27.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.492 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 70.4 mt -64.26 -50.59 75.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 85.3 mt -56.8 -51.6 68.3 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 121.068 0.461 . . . . 0.0 110.337 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.655 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.8 tt0 -64.73 -35.99 82.83 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.752 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.741 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 35.5 tpp -62.98 -41.0 99.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.516 0.674 . . . . 0.0 109.674 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -64.13 -41.2 97.3 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.145 -1.388 . . . . 0.0 110.463 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 40.2 t -71.43 -41.3 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.464 0.65 . . . . 0.0 110.115 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.9 mtmt -67.83 -40.48 83.76 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.732 -0.605 . . . . 0.0 110.591 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.54 -26.73 66.46 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.127 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 19.4 tp -59.94 -47.65 84.93 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -37.18 86.3 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.669 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 11.0 m120 -61.46 -47.04 87.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.595 0.559 . . . . 0.0 110.529 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.06 -30.88 67.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.095 0.474 . . . . 0.0 111.412 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -78.18 -15.04 59.2 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.1 OUTLIER -104.72 0.73 28.61 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 121.957 -0.464 . . . . 0.0 111.103 -176.271 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.18 53.79 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.741 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.18 -22.04 59.57 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.074 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -42.1 74.94 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.69 -46.89 80.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 50' ' ' ILE . 33.7 ttm180 -56.79 -52.14 66.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.692 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 50' ' ' ILE . 10.5 ptm180 -58.53 -38.16 77.18 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.71 -49.67 76.84 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -63.27 -39.34 94.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HE3' ' B' ' 77' ' ' LYS . 96.7 mt -58.38 -57.24 11.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.261 0 C-N-CA 123.043 0.537 . . . . 0.0 110.432 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.92 -44.49 97.13 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 69.7 mm-40 -58.14 -38.7 77.05 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.105 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 m -76.75 -39.13 52.76 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.851 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.39 -38.86 91.24 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 t -60.05 -56.01 26.87 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.08 -29.53 69.87 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.84 -58.57 7.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.746 0.818 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -62.48 -30.12 71.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 m -69.48 -55.47 10.14 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.657 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.07 -29.86 69.75 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 84' ' ' THR . 23.9 mm -63.43 -50.65 77.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.17 0.509 . . . . 0.0 109.861 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -72.75 -24.0 60.9 Favored 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.346 -0.541 . . . . 0.0 109.673 -177.454 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -82.99 -34.35 26.38 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.18 -35.4 23.58 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.059 0.933 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.98 -29.03 13.52 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.509 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 33.9 mtmt 48.22 71.4 0.35 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.698 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 67.4 mttm -77.11 -80.43 0.1 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.595 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.0 t70 -161.57 151.09 16.47 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.2 t -83.97 -28.57 27.68 Favored 'General case' 0 C--N 1.269 -2.932 0 O-C-N 124.023 0.827 . . . . 0.0 109.481 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 m -66.74 -49.93 64.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.832 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -79.78 -13.16 59.63 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.744 -176.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.68 -38.85 75.86 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.708 0.766 . . . . 0.0 109.236 175.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -84.47 15.12 3.89 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.636 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -132.09 14.23 4.71 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.434 1.112 . . . . 0.0 109.469 176.25 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -85.31 126.68 33.92 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 80' ' ' ILE . 32.1 mt-10 -79.84 156.47 27.36 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 29.0 ttpt -50.28 -39.45 45.33 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.04 0.837 . . . . 0.0 112.607 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.73 76.31 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.933 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.8 -32.89 40.79 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.49 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 76' ' ' GLU . 2.3 mp -61.69 -51.21 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.4 mt -60.32 -49.67 76.69 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.005 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.672 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 25.3 tt0 -58.79 -38.98 79.75 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.278 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.698 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 50.6 tpp -64.41 -42.08 96.28 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.421 HG23 HD11 ' A' ' 61' ' ' ILE . 10.6 m -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.805 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.66 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 63.3 t -65.88 -54.39 27.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.905 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -56.24 -40.37 74.02 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.65 0.738 . . . . 0.0 110.997 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . 0.258 43.3 m-70 -75.09 -26.28 59.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.3 pp -72.29 -28.56 63.18 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 15.8 mmm-85 -66.11 -44.65 83.68 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.09 -55.27 35.04 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.339 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.05 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -39.73 95.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.946 0.403 . . . . 0.0 111.248 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.86 20.6 16.29 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.258 0 CA-C-O 121.352 0.596 . . . . 0.0 110.156 179.289 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -72.72 -43.49 62.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -63.45 -37.43 87.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.772 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.586 ' O ' HG13 ' B' ' 50' ' ' ILE . 41.4 ttt180 -59.88 -53.16 61.15 Favored 'General case' 0 C--O 1.202 -1.419 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.446 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' B' ' 50' ' ' ILE . 94.7 mtt180 -58.48 -42.63 87.98 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 123.372 0.42 . . . . 0.0 111.521 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.59 -49.16 75.73 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 123.624 0.578 . . . . 0.0 109.548 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.22 -27.54 64.55 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.417 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 46' ' ' ARG . 98.6 mt -59.7 -52.87 55.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 174.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.36 -43.03 92.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.63 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.6 mm-40 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -75.1 -41.43 58.66 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.53 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.14 -36.56 84.01 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -59.67 -57.95 10.7 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.754 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.9 -29.88 69.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.94 -58.9 6.37 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.012 0.925 . . . . 0.0 110.358 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -62.34 -33.06 73.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.891 0.376 . . . . 0.0 110.954 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 m -63.71 -56.32 16.59 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.982 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -27.47 60.71 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 10.4 mm -60.78 -55.5 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -75.22 -21.03 58.93 Favored 'General case' 0 C--O 1.191 -1.989 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.369 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.89 -30.84 67.32 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.587 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.22 25.38 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.357 0.599 . . . . 0.0 109.881 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 16.8 mt -93.27 -38.13 11.68 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.515 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 51.93 65.68 1.42 Allowed 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 124.587 1.155 . . . . 0.0 111.393 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 66.1 mttm -79.33 -70.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.595 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.571 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.8 t70 -162.05 134.2 5.64 Favored 'General case' 0 CA--C 1.476 -1.872 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -87.35 -15.64 37.32 Favored 'General case' 0 N--CA 1.406 -2.649 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' SER . . . . . 0.571 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 47.2 t -69.41 -51.27 38.1 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.497 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -73.46 -9.82 59.08 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.587 ' HA ' HD23 ' B' ' 75' ' ' LEU . 3.6 t-80 -63.02 -22.3 66.76 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -92.44 3.17 56.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.28 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 36.99 3.24 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 122.841 1.305 . . . . 0.0 108.469 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.7 OUTLIER -83.11 124.05 30.1 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.245 175.675 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -86.45 144.49 27.26 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 25.8 ttpt -55.36 -38.37 68.73 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.389 0.614 . . . . 0.0 111.551 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.76 76.21 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.132 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -78.95 -39.34 34.78 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.679 -175.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' B' ' 75' ' ' LEU . 76.5 mt -61.75 -54.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.931 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 82.9 mt -58.3 -47.43 83.72 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 109.664 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.2 tt0 -62.19 -38.05 87.65 Favored 'General case' 0 C--O 1.203 -1.373 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.111 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.518 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 36.3 tpp -68.54 -32.02 71.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.613 0.72 . . . . 0.0 109.685 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.417 HG23 HD11 ' B' ' 61' ' ' ILE . 13.6 m -70.46 -42.11 71.89 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.801 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 59.7 t -69.75 -40.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 75.4 mttt -65.57 -33.05 75.0 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.229 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.496 ' CD2' HD21 ' B' ' 65' ' ' LEU . 14.3 t-80 -69.74 -30.25 67.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.807 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -64.98 -42.38 94.58 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.6 mmm180 -61.56 -48.83 79.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.51 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -55.29 -50.72 68.82 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 87' ' ' HIS . 87.0 mt -63.12 -44.6 95.18 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.11 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.32 -21.35 66.21 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 6.5 ppt_? -111.66 5.62 19.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 122.02 0.914 . . . . 0.0 111.227 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.77 16.43 17.52 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.998 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.426 -1.675 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -177.769 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 CA--C 1.506 -0.743 0 CA-C-O 121.156 0.503 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.24 -15.03 56.79 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.521 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.45 -41.88 75.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.19 -45.55 87.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.446 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 ttp180 -58.53 -49.16 78.42 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.401 175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.686 ' HA ' HD12 ' A' ' 50' ' ' ILE . 77.8 ttt180 -56.79 -37.49 71.21 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.154 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.65 -43.63 98.49 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.3 -31.42 72.57 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.779 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 47' ' ' ARG . 81.5 mt -61.47 -53.12 52.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -61.35 -43.45 98.85 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 63.2 mt-10 -55.56 -49.02 73.82 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.076 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -73.85 -44.22 56.2 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.522 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.14 -41.51 97.16 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -62.25 -49.86 74.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.197 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -73.6 -25.05 60.15 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.814 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.84 -59.22 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 123.657 0.783 . . . . 0.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -62.0 -36.67 82.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -54.73 36.46 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.181 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.63 -31.65 68.67 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG23 ' CD2' ' A' ' 87' ' ' HIS . 12.4 mm -62.88 -43.07 98.67 Favored 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-O 122.386 1.088 . . . . 0.0 110.309 174.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -71.53 -38.17 71.09 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.257 -179.485 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.532 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 5.2 t70 -78.3 -25.28 46.53 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.036 0.446 . . . . 0.0 112.182 -176.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.58 67.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 7.3 mp -102.32 -28.73 12.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 117.854 -1.538 . . . . 0.0 113.245 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 25.0 mtmt 54.97 65.8 1.4 Allowed 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 122.759 1.266 . . . . 0.0 110.57 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' A' ' 65' ' ' LEU . 2.9 mppt? -79.97 -72.62 0.39 Allowed 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 112.794 -2.003 . . . . 0.0 109.915 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 7.6 m-20 -153.74 150.92 29.02 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.418 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -86.9 -29.45 22.13 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 t -61.64 -53.03 61.64 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.089 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -67.76 -32.44 73.03 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.347 177.663 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 11.8 t-160 -58.36 -46.5 86.17 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.551 0.532 . . . . 0.0 111.076 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 p -85.6 4.21 37.23 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.445 0.64 . . . . 0.0 112.35 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -126.72 18.03 7.39 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.476 1.131 . . . . 0.0 108.192 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 15.9 mt -71.51 115.04 10.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.421 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -77.94 149.68 34.14 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.9 ttmt -49.98 -47.5 52.77 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.73 -31.43 72.42 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.286 0.565 . . . . 0.0 111.251 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.02 -35.36 66.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.068 0.937 . . . . 0.0 108.879 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.7 mt -66.96 -49.55 72.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.525 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' VAL . 52.9 mt -59.96 -50.71 72.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.91 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.5 tt0 -59.75 -36.86 77.49 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.314 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.24 -39.69 93.04 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 m -66.95 -41.43 86.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.686 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.4 t -67.66 -49.65 68.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 109.93 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.5 mttm -61.7 -38.67 88.73 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.171 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.463 ' CD2' HG23 ' A' ' 61' ' ' ILE . 1.4 m-70 -66.21 -32.8 74.46 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.8 pp -66.97 -40.09 87.37 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.494 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -66.76 -34.39 77.73 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.67 178.297 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.33 -50.85 68.56 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' HB2' HD13 ' B' ' 91' ' ' LEU . 76.2 mt -62.75 -45.21 93.76 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.3 -21.16 63.7 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -115.22 -8.25 12.36 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.829 -0.748 . . . . 0.0 112.15 -176.204 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.31 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 14.2 pt-20 . . . . . 0 C--O 1.2 -1.539 0 CA-C-O 119.57 -0.252 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -65.48 -46.96 77.73 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -58.99 -48.57 81.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.321 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.494 ' O ' HG13 ' B' ' 50' ' ' ILE . 34.6 ttm180 -62.72 -49.54 74.65 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.02 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 91.9 mtt180 -54.56 -48.01 72.57 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.714 0.406 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.25 82.42 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 123.483 0.489 . . . . 0.0 109.996 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -56.96 -42.35 80.0 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.494 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.4 mt -60.38 -58.72 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.085 0.554 . . . . 0.0 111.072 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -60.43 -42.87 96.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.127 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -71.7 -28.14 63.5 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -77.0 -31.9 56.79 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.483 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 5.0 tt -74.33 -37.25 63.61 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 123.417 0.687 . . . . 0.0 109.424 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -69.8 -44.39 70.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.71 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -66.53 -31.48 72.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.432 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.8 tt -59.48 -58.6 7.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.75 1.22 . . . . 0.0 110.734 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.655 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -61.57 -30.63 70.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.579 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 92.8 m -66.14 -52.03 52.34 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.648 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.67 -33.71 71.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.371 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.676 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.8 mm -63.44 -53.33 46.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 O-C-N 123.474 0.484 . . . . 0.0 110.793 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' B' ' 72' ' ' HIS . 2.1 tm? -62.08 -38.06 87.39 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.82 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.622 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 58.2 m-20 -73.6 -25.76 60.49 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.74 -22.65 31.88 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.636 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 17.0 mt -95.27 -38.08 10.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.326 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.622 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 11.1 mmpt? 61.2 61.98 1.47 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.855 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.532 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -86.07 -79.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.126 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.448 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 24.8 m-20 -157.85 149.64 21.87 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' B' ' 72' ' ' HIS . 16.5 p -87.15 -23.48 24.82 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.283 0.563 . . . . 0.0 111.272 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 54.7 m -69.11 -43.79 73.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 12.8 ptp180 -63.32 -38.07 89.72 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' B' ' 69' ' ' SER . 28.4 t-80 -52.32 -38.63 59.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.096 0.959 . . . . 0.0 111.11 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.5 t -85.45 1.41 48.89 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.727 0.775 . . . . 0.0 110.877 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -34.95 7.04 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 47.3 mt -33.27 109.04 0.06 Allowed 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 126.061 2.1 . . . . 0.0 114.22 -173.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 41.1 mt-10 -92.47 170.57 9.66 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.888 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.451 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.1 ttmt -56.78 -45.95 81.81 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.06 72.43 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.384 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.571 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 3.0 m-20 -74.48 -52.16 12.76 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 122.078 0.942 . . . . 0.0 108.652 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' B' ' 58' ' ' LYS . 83.2 mt -55.72 -52.13 51.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 113.34 -1.754 . . . . 0.0 111.671 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.0 mp -54.21 -52.73 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 123.497 0.498 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 24.1 tt0 -64.35 -36.92 85.71 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.544 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.532 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 23.9 tpp -63.87 -35.63 81.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.149 0.976 . . . . 0.0 109.321 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -74.03 -42.82 59.73 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.583 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 81' ' ' LEU . 76.3 t -64.24 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.264 0.554 . . . . 0.0 109.6 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 72.4 mttt -63.25 -37.47 87.36 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -70.61 -26.92 63.72 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.478 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.79 -38.0 79.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.9 mmt180 -61.01 -48.96 79.39 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.671 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.03 -55.4 31.38 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.473 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 91' ' ' LEU . 82.8 mt -64.66 -33.87 76.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.875 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -113.37 -1.05 14.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.3 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.47 28.0 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.454 0.702 . . . . 0.0 110.682 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 93' ' ' ARG . 23.4 mm-40 . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.16 -21.43 50.23 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.241 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -74.12 -38.85 63.68 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.449 -0.501 . . . . 0.0 109.88 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -64.86 -44.76 88.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.789 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.52 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.4 ttm180 -59.51 -55.52 33.51 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.275 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HA ' HD12 ' A' ' 50' ' ' ILE . 29.9 mtm180 -54.42 -43.33 71.44 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.607 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.69 -54.68 43.38 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.496 0.497 . . . . 0.0 109.975 176.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.45 ' CB ' ' HB1' ' B' ' 78' ' ' ALA . 60.0 mtp180 -61.22 -34.16 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.664 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.4 mt -59.09 -55.51 23.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -61.17 -46.4 90.64 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.713 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 17.8 mm-40 -58.53 -48.0 82.3 Favored 'General case' 0 C--O 1.249 1.067 0 O-C-N 123.565 0.541 . . . . 0.0 111.948 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 m -76.89 -36.94 56.36 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.9 tt -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.57 0.7 . . . . 0.0 109.445 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.8 m -66.51 -45.74 78.55 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.451 -178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.37 -30.44 68.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.7 -56.94 15.04 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.22 1.008 . . . . 0.0 110.522 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.06 -36.02 80.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.187 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.7 m -66.94 -47.85 70.4 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.447 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -69.49 -34.99 75.14 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.436 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mm -63.49 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--O 1.29 3.212 0 CA-C-O 122.089 0.947 . . . . 0.0 110.795 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD22 ' HD2' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -60.94 -51.29 69.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.269 -179.141 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.702 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 20.6 t70 -69.83 -42.82 73.11 Favored 'General case' 0 C--O 1.169 -3.137 0 O-C-N 124.183 0.927 . . . . 0.0 111.4 -177.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -54.16 -31.54 52.87 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 120.817 0.342 . . . . 0.0 111.746 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 64' ' ' ALA . 6.6 mp -115.58 -8.53 12.11 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.12 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.702 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 36.7 mmtt 58.69 56.49 4.17 Favored 'General case' 0 CA--C 1.491 -1.324 0 C-N-CA 124.416 1.086 . . . . 0.0 110.309 175.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HD2' HD22 ' A' ' 62' ' ' LEU . 47.6 mttp -62.93 -82.88 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 113.486 -1.688 . . . . 0.0 112.029 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -179.08 142.97 0.2 Allowed 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 p -78.7 -18.39 54.4 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.354 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -43.21 66.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.603 ' NH1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -80.63 -3.21 49.64 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.503 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -84.66 -22.27 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 170.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.2 t -90.74 -25.99 19.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.356 1.074 . . . . 0.0 109.423 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 35.4 2.76 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.634 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.744 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 7.0 tp -101.41 102.66 13.5 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.953 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -79.27 153.09 30.17 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.85 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.7 ttmp? -51.78 -47.81 64.02 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.44 71.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 83' ' ' MET . 16.3 t70 -76.05 -35.79 59.3 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.744 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.1 mt -67.25 -52.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.923 -1.489 . . . . 0.0 110.979 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 85' ' ' VAL . 72.8 mt -60.03 -52.63 64.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 9.0 tt0 -55.98 -39.9 72.51 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.711 0.632 . . . . 0.0 112.012 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 36.4 tpp -62.25 -52.59 63.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -173.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -61.06 -46.49 90.44 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.7 t -63.81 -45.51 96.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-O 121.909 0.861 . . . . 0.0 110.595 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.608 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 79.7 mttt -72.29 -23.96 61.27 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-O 121.711 0.767 . . . . 0.0 111.426 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.16 -26.04 55.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.024 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.1 tt -61.78 -43.54 98.65 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 4.6 mmt180 -60.37 -45.7 92.58 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.837 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 85.7 m-20 -59.67 -41.73 91.32 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.562 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -38.41 61.31 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.208 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.24 -19.67 64.75 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.58 -11.98 44.0 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.251 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.184 -176.356 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.19 -2.055 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -67.67 -42.01 82.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 123.781 0.675 . . . . 0.0 112.099 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -59.18 -49.28 78.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.696 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.54 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.4 ttm180 -68.39 -45.68 72.04 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.342 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.5 ttt180 -56.57 -44.71 81.26 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.106 1.363 . . . . 0.0 110.617 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -55.8 -52.93 62.27 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.758 0.661 . . . . 0.0 109.314 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -63.15 -32.97 74.48 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.889 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.8 mt -59.9 -55.78 21.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -60.8 -45.17 95.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.744 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 17.6 mm-40 -59.27 -43.08 92.51 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.946 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 29.7 m -77.33 -33.51 55.47 Favored 'General case' 0 N--CA 1.418 -2.053 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.468 -178.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.0 tt -72.48 -35.4 68.18 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -176.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.3 p -69.64 -46.45 66.14 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.039 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.9 pt20 -68.94 -31.15 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.116 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -53.06 -59.45 4.52 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.283 1.433 . . . . 0.0 107.607 175.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' B' ' 58' ' ' LYS . 4.1 tmmm? -59.17 -45.72 90.27 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.132 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 51.5 m -59.31 -51.4 70.12 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 123.447 0.467 . . . . 0.0 112.032 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.59 -38.29 83.81 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.273 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.513 HD11 HG23 ' B' ' 84' ' ' THR . 29.5 mm -65.44 -36.4 77.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 122.052 0.93 . . . . 0.0 111.236 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -42.71 72.59 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.303 -0.873 . . . . 0.0 109.234 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.601 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 8.6 t70 -77.6 -30.5 52.46 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.43 -30.69 53.55 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.668 -0.645 . . . . 0.0 111.312 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.408 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.0 mp -100.02 -32.31 11.01 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.927 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.601 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.0 mtmt 50.1 69.72 0.58 Allowed 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 123.083 1.421 . . . . 0.0 111.992 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -81.63 -75.41 0.29 Allowed 'General case' 0 N--CA 1.414 -2.233 0 CA-C-N 112.049 -2.341 . . . . 0.0 111.86 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 179.84 155.16 0.57 Allowed 'General case' 0 CA--C 1.473 -1.994 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' B' ' 72' ' ' HIS . 50.5 m -84.42 -20.3 32.04 Favored 'General case' 0 N--CA 1.408 -2.56 0 O-C-N 123.859 0.724 . . . . 0.0 111.721 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 16.4 m -67.75 -49.78 60.7 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -3.79 43.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' B' ' 69' ' ' SER . 10.3 t-160 -84.13 -31.43 25.22 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -86.8 -4.7 59.21 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 122.472 1.129 . . . . 0.0 109.886 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.06 21.72 11.72 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 123.258 1.504 . . . . 0.0 107.143 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.588 ' HG ' ' CG1' ' B' ' 80' ' ' ILE . 10.9 tp -99.41 98.22 9.17 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.147 -1.388 . . . . 0.0 107.474 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -86.56 163.66 17.34 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.746 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 50' ' ' ILE . 27.2 ttpt -51.13 -42.17 60.55 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 111.62 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 49' ' ' ARG . . . -58.92 -37.8 77.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.485 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.06 -50.87 13.55 Favored 'General case' 0 CA--C 1.487 -1.445 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.869 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.588 ' CG1' ' HG ' ' B' ' 75' ' ' LEU . 70.8 mt -51.72 -48.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.721 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.482 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.1 mp -55.65 -53.44 56.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.719 0.408 . . . . 0.0 111.423 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 8.4 tt0 -60.54 -39.07 86.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.419 0.628 . . . . 0.0 110.155 -173.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 14.5 m -77.52 -40.07 44.0 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.159 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 56.3 t -67.57 -38.03 79.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.84 0.829 . . . . 0.0 109.018 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.8 mttt -68.27 -35.7 78.28 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.077 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' B' ' 91' ' ' LEU . 77.3 t60 -67.91 -26.72 66.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 29.1 tp -66.13 -42.45 89.09 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 6.7 mmt180 -59.8 -46.55 88.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.29 -50.98 71.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.374 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.423 HD11 ' NE2' ' B' ' 87' ' ' HIS . 85.8 mt -72.21 -27.4 62.52 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -70.24 -29.17 65.91 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 4.2 ppt_? -117.96 13.37 13.95 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.73 -40.2 79.05 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.303 1.049 . . . . 0.0 110.142 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.28 -2.451 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.33 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 CA--C 1.497 -1.07 0 CA-C-O 120.563 0.221 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.72 -25.99 60.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.436 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -73.55 -40.9 63.61 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -60.21 -42.12 94.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.286 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.93 -46.26 68.71 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.38 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.4 ttm180 -62.58 -39.74 94.68 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 123.807 0.843 . . . . 0.0 112.124 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.63 -48.73 80.51 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -61.36 -39.31 90.16 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 124.069 0.855 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.2 mt -59.12 -53.93 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 122.742 0.417 . . . . 0.0 111.157 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -65.77 -45.81 81.11 Favored 'General case' 0 CA--C 1.477 -1.837 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 9.2 pt-20 -66.52 -37.8 85.8 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 123.75 0.657 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -70.17 -48.67 56.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -60.26 -37.67 81.15 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 109.722 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.3 m -69.3 -42.39 75.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.214 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.43 -29.48 61.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.714 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.9 tm? -52.5 -59.08 4.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.617 1.967 . . . . 0.0 109.183 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -64.4 -36.4 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.967 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.0 m -61.16 -53.03 62.06 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.037 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -34.47 78.39 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 84' ' ' THR . 37.8 mm -64.83 -51.49 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.993 0.425 . . . . 0.0 110.631 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -23.55 62.35 Favored 'General case' 0 C--O 1.199 -1.57 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.22 -29.93 31.09 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.88 0.371 . . . . 0.0 111.595 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.14 27.96 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 87' ' ' HIS . 20.2 mt -99.68 -34.39 10.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.069 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt 53.41 45.16 28.92 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.962 0.905 . . . . 0.0 111.927 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.58 -70.19 0.24 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.543 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 35.2 t70 -167.49 137.19 2.77 Favored 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.6 p -86.91 -19.76 28.37 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-O 121.34 0.59 . . . . 0.0 111.741 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.543 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 49.6 m -69.94 -44.57 69.29 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.454 HH11 ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -75.87 -12.98 60.26 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.891 -0.506 . . . . 0.0 110.512 176.214 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.779 ' HA ' HD12 ' A' ' 75' ' ' LEU . 11.2 t-160 -77.3 -18.14 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.817 0.818 . . . . 0.0 108.829 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -92.54 2.3 56.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.636 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -135.03 21.61 3.49 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.919 1.343 . . . . 0.0 107.796 177.667 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -90.21 106.05 18.23 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.443 177.862 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.31 160.16 28.02 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.633 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.6 ttmp? -48.82 -46.88 42.56 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.557 0.743 . . . . 0.0 111.965 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -60.47 -35.83 76.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.559 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -79.68 -36.63 37.37 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.891 -171.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.97 -47.07 89.61 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.802 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 69.6 mt -57.94 -48.85 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 30.7 tt0 -59.83 -41.07 90.52 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.781 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 tpp -63.79 -35.08 79.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.728 0.775 . . . . 0.0 109.02 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 61' ' ' ILE . 8.4 m -72.45 -43.81 63.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.325 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 81' ' ' LEU . 50.6 t -62.24 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.474 0.654 . . . . 0.0 109.844 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.2 mtmt -63.21 -44.06 96.37 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.664 ' CD2' HD21 ' A' ' 65' ' ' LEU . 11.8 t-160 -66.47 -28.91 68.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.06 178.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.32 -45.69 92.09 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -69.51 -29.8 67.5 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.745 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 93.5 m-20 -62.57 -44.09 97.2 Favored 'General case' 0 CA--C 1.49 -1.344 0 CA-C-O 121.054 0.454 . . . . 0.0 110.29 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 92.6 mt -68.41 -43.89 76.21 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.412 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.67 -24.78 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 5.4 ppt_? -89.04 -8.53 53.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.986 0.422 . . . . 0.0 111.501 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.978 0 CA-C-O 121.822 0.82 . . . . 0.0 110.851 -177.288 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -75.98 -37.16 58.84 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.73 -42.24 95.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.314 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.591 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.7 ttm180 -60.59 -53.01 62.68 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' B' ' 50' ' ' ILE . 39.3 ttm180 -52.69 -47.71 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.804 1.242 . . . . 0.0 111.562 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.29 -50.62 72.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.016 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -61.98 -31.83 72.23 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.32 0.387 . . . . 0.0 111.781 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.591 HG13 ' O ' ' B' ' 46' ' ' ARG . 88.5 mt -60.46 -52.63 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -61.17 -48.14 82.95 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 25.7 mm-40 -60.52 -41.23 93.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.2 m -77.32 -35.97 54.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.973 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ILE . 1.0 OUTLIER -72.05 -35.46 69.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.488 0.661 . . . . 0.0 109.381 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.0 p -69.87 -49.68 49.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.299 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.82 -32.98 74.92 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.731 0.301 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.491 HD21 ' OG1' ' B' ' 84' ' ' THR . 7.8 tt -58.08 -58.5 8.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.73 -43.8 65.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.639 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.2 m -59.31 -55.41 35.17 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.585 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.03 -32.44 67.13 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' B' ' 83' ' ' MET . 23.7 mm -68.62 -50.41 56.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.39 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.93 -25.11 66.99 Favored 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.87 -32.45 61.89 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 -38.55 21.0 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 121.075 0.464 . . . . 0.0 109.978 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 13.9 mt -88.2 -38.25 15.44 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 120.211 -0.595 . . . . 0.0 109.923 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 49.78 68.31 0.76 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.713 1.258 . . . . 0.0 111.178 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.581 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 93.2 mttt -66.32 -57.11 8.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.777 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.409 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.8 t70 177.44 151.91 0.22 Allowed 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -82.74 -28.17 30.62 Favored 'General case' 0 N--CA 1.399 -2.994 0 O-C-N 123.617 0.573 . . . . 0.0 110.248 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.2 m -70.96 -36.06 72.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.382 0.61 . . . . 0.0 110.222 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -87.16 -6.56 58.58 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 -178.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -70.47 -22.71 62.64 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 21.5 m -88.29 14.98 8.31 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.489 0.661 . . . . 0.0 110.879 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.602 ' HE2' ' O ' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -143.64 84.47 1.8 Allowed 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.4 mm? -122.82 121.98 37.55 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 121.608 0.718 . . . . 0.0 110.684 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.449 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 33.8 mt-10 -90.81 149.44 21.98 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 ttmt -52.62 -45.0 66.41 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.172 0.51 . . . . 0.0 110.671 177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -30.28 69.99 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.303 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' B' ' 83' ' ' MET . 11.2 t70 -76.97 -41.28 43.66 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.446 HG22 HD22 ' B' ' 57' ' ' LEU . 53.6 mt -64.94 -51.86 61.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.046 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 86.6 mt -56.0 -49.28 74.08 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 124.043 0.839 . . . . 0.0 109.571 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.5 tt0 -61.67 -39.26 90.76 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.377 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.581 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 72.8 mtm -56.89 -45.96 82.23 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.491 ' OG1' HD21 ' B' ' 57' ' ' LEU . 0.1 OUTLIER -59.11 -48.72 80.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.406 178.401 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.2 t -64.41 -44.51 97.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.894 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -67.28 -39.38 86.04 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 122.057 -0.402 . . . . 0.0 111.273 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 6.0 tt -60.96 -46.41 90.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -58.05 -46.49 85.28 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -55.68 -51.68 66.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.198 0.936 . . . . 0.0 111.075 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 94.8 mt -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.553 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -72.86 -14.45 61.5 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.788 0.328 . . . . 0.0 111.716 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 11.17 14.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 0.0 109.994 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.28 27.95 3.07 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.259 1.597 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -176.104 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 12.0 pt-20 -75.61 -18.94 59.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.261 -178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -70.69 -43.25 69.44 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -62.96 -41.16 99.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.366 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.5 ttp180 -60.77 -54.2 48.04 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.224 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.8 ttp180 -58.8 -39.03 79.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.792 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -60.81 -46.75 89.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -60.36 -37.12 79.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.779 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 47' ' ' ARG . 79.3 mt -55.26 -56.87 9.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -59.18 -45.91 89.8 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.633 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 23.7 mm-40 -59.0 -37.99 78.15 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.8 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m -76.45 -44.13 36.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.459 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.41 -36.95 85.5 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.209 0.528 . . . . 0.0 109.738 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -61.22 -50.96 70.96 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.378 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -72.97 -29.17 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.54 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -58.49 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.117 0.967 . . . . 0.0 110.145 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -60.82 -35.5 76.66 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.156 0.285 . . . . 0.0 111.168 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.47 -52.97 59.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.404 0.44 . . . . 0.0 111.07 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.55 -32.19 69.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.52 -52.05 45.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.276 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HG ' ' ND1' ' A' ' 72' ' ' HIS . 0.6 OUTLIER -60.91 -33.19 72.76 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.341 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.642 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 1.3 t70 -80.78 -28.34 36.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.343 -176.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.18 -34.33 37.6 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 118.857 -1.137 . . . . 0.0 111.174 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 65' ' ' LEU . 4.7 mp -92.57 -24.27 18.78 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.425 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.642 ' HE3' ' HA ' ' A' ' 63' ' ' ASP . 9.7 mmpt? 59.18 64.06 1.46 Allowed 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 109.803 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 70.0 mmtt -71.47 -78.99 0.07 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 112.825 -1.988 . . . . 0.0 111.273 -177.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.95 153.23 0.62 Allowed 'General case' 0 CA--C 1.466 -2.286 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -77.01 -28.83 55.15 Favored 'General case' 0 N--CA 1.403 -2.822 0 O-C-N 123.771 0.669 . . . . 0.0 111.236 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 t -70.12 -40.75 74.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -82.05 -3.16 53.99 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -178.389 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.403 ' ND1' ' HG ' ' A' ' 62' ' ' LEU . 3.4 t-160 -78.4 -40.76 35.09 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 170.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -83.31 -1.14 52.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.86 1.314 . . . . 0.0 110.46 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -122.64 58.95 1.06 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 122.86 1.314 . . . . 0.0 107.587 175.632 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 13.8 mt -121.66 108.03 13.06 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 112.718 -2.037 . . . . 0.0 110.182 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.2 mm-40 -78.8 152.19 31.51 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.0 ttmt -49.0 -44.5 41.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.36 0.6 . . . . 0.0 112.222 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -64.8 -28.87 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.198 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 -34.8 42.14 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 121.91 0.862 . . . . 0.0 108.699 -174.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 53.3 mt -72.68 -50.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.251 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 75.1 mt -57.55 -52.93 63.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.052 0.453 . . . . 0.0 110.049 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 22.4 tt0 -60.5 -35.49 76.06 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.289 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.494 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 2.1 tpt -69.18 -33.6 73.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.672 0.748 . . . . 0.0 109.818 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.1 m -72.22 -42.3 65.91 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.728 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.2 t -68.65 -43.58 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.729 0.776 . . . . 0.0 109.923 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.2 mttt -67.13 -30.33 70.3 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 121.972 -0.455 . . . . 0.0 111.348 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -72.14 -29.52 64.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.264 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.6 pp -66.84 -35.42 80.01 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.306 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -58.75 -47.59 84.14 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -56.12 -52.17 65.31 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 123.981 0.8 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.5 mt -70.92 -21.32 62.38 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -75.53 -40.34 57.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 118.013 0.37 . . . . 0.0 110.777 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.91 6.73 40.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.061 0.458 . . . . 0.0 112.009 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 111.149 -177.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.557 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 4.8 pt-20 . . . . . 0 N--CA 1.439 -0.988 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.57 -38.77 87.79 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -66.03 -40.93 91.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.345 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.598 ' O ' HG13 ' B' ' 50' ' ' ILE . 28.7 ttm180 -57.71 -52.87 63.69 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 58.8 mtt180 -53.85 -46.05 71.13 Favored 'General case' 0 CA--C 1.502 -0.87 0 C-N-CA 123.065 0.546 . . . . 0.0 111.68 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.611 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.14 -51.43 68.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -62.99 -35.32 79.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.664 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.598 HG13 ' O ' ' B' ' 46' ' ' ARG . 85.2 mt -61.3 -53.42 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.159 0.584 . . . . 0.0 109.869 176.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -61.09 -45.68 93.7 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.171 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 45.7 mt-10 -60.3 -42.96 96.62 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.152 0.907 . . . . 0.0 112.178 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.8 p -75.08 -43.03 55.47 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.303 -175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.59 -38.71 91.2 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -59.76 -57.03 14.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.467 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.73 -25.69 63.05 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.326 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 123.53 0.732 . . . . 0.0 109.914 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.75 -34.69 78.45 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.07 0.462 . . . . 0.0 110.672 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.5 m -67.22 -45.75 75.89 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.372 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.48 -36.4 68.42 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.166 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.04 -49.2 84.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 120.833 0.349 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.89 -26.34 66.83 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.62 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.9 t70 -80.92 -28.45 35.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.418 0.627 . . . . 0.0 110.976 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -38.39 23.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 122.026 -0.421 . . . . 0.0 110.423 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.7 mp -90.89 -37.8 13.32 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.011 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.6 mtmt 53.55 67.37 1.01 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 122.539 1.161 . . . . 0.0 112.048 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.0 -70.84 0.53 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.782 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -171.31 143.86 1.92 Allowed 'General case' 0 CA--C 1.476 -1.88 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.7 m -83.37 -19.64 35.71 Favored 'General case' 0 N--CA 1.408 -2.561 0 O-C-N 123.458 0.473 . . . . 0.0 109.939 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -66.73 -33.61 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.781 0.801 . . . . 0.0 109.432 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -92.12 -6.35 50.99 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.04 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.439 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.6 t-160 -82.85 -42.88 17.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.032 0.933 . . . . 0.0 108.53 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -74.21 3.91 6.47 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.615 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -129.62 16.46 5.9 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 122.369 1.08 . . . . 0.0 108.868 179.49 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 30.9 mt -73.83 121.5 20.98 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.083 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.505 ' HB2' ' OD2' ' B' ' 79' ' ' ASP . 76.9 mm-40 -93.0 160.13 15.01 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.158 175.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.3 ttmt -51.22 -47.2 62.39 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 123.767 0.827 . . . . 0.0 112.015 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.7 68.83 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.072 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' B' ' 76' ' ' GLU . 22.9 m-20 -78.76 -44.49 23.21 Favored 'General case' 0 CA--C 1.485 -1.556 0 CA-C-O 121.639 0.733 . . . . 0.0 109.479 -174.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.442 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.2 mt -62.88 -51.46 71.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.363 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.81 -52.71 59.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 123.657 0.598 . . . . 0.0 110.96 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.6 tt0 -59.47 -41.58 90.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.117 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 42.5 ttm -64.7 -35.28 80.54 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.559 0.695 . . . . 0.0 110.089 -172.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 11.3 m -70.64 -42.78 70.4 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.073 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 60.3 t -65.64 -43.41 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 109.79 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -62.43 -40.88 98.01 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.241 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' B' ' 65' ' ' LEU . 68.7 t60 -63.54 -34.14 77.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.79 0.329 . . . . 0.0 110.235 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 20.8 tp -55.66 -47.66 76.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' B' ' 86' ' ' LYS . 0.0 OUTLIER -65.39 -38.91 91.43 Favored 'General case' 0 CA--C 1.496 -1.107 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.282 178.612 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -57.6 -50.71 72.24 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.699 0.624 . . . . 0.0 110.223 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 96.7 mt -67.09 -30.42 70.44 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.812 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.03 -18.77 59.11 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.93 5.09 14.98 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.022 -0.424 . . . . 0.0 111.563 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.97 -11.75 60.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.583 0.706 . . . . 0.0 110.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.413 -2.275 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 CA--C 1.497 -1.067 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.23 -24.55 61.4 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.799 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -75.26 -46.15 35.52 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -64.49 -41.26 96.57 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.014 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.562 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.7 ttm180 -58.69 -56.94 15.67 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.227 176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.506 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.8 ttt180 -60.84 -42.62 98.15 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.172 0.589 . . . . 0.0 111.841 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.1 -50.24 74.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 123.637 0.585 . . . . 0.0 109.527 177.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -67.43 -29.07 68.45 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.1 mt -59.73 -53.27 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -65.42 -47.32 76.63 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.126 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 33.5 mt-10 -63.86 -37.02 85.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 m -77.3 -36.01 54.48 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.12 -32.97 69.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.887 0.851 . . . . 0.0 108.956 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -72.73 -43.66 62.68 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.166 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 11.4 pt20 -68.56 -31.57 70.88 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.525 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.63 -58.72 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.201 1.0 . . . . 0.0 110.524 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -60.75 -32.48 71.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.879 0.371 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -66.48 -53.24 37.42 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.716 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 83.3 mt -67.05 -39.82 87.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.397 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 35.1 mm -59.97 -54.06 39.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.235 0.541 . . . . 0.0 110.581 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp -68.08 -26.18 65.7 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.046 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -81.63 -25.65 35.46 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.054 0.454 . . . . 0.0 111.092 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.02 -34.62 24.27 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.832 0.825 . . . . 0.0 109.674 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 17.6 mt -93.23 -38.19 11.67 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.725 -174.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 51.26 65.05 1.6 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-O 122.337 1.065 . . . . 0.0 111.125 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -86.1 -80.16 0.24 Allowed 'General case' 0 N--CA 1.414 -2.273 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.141 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.54 131.92 12.9 Favored 'General case' 0 CA--C 1.486 -1.517 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -79.99 -15.73 56.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.958 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -70.95 -33.31 70.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.866 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -86.95 -20.17 27.71 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.269 0.557 . . . . 0.0 109.967 176.59 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.437 ' HA ' HD12 ' A' ' 75' ' ' LEU . 40.3 t-80 -71.53 145.46 49.1 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 171.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m 72.2 1.15 3.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.185 0.993 . . . . 0.0 111.497 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.613 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -131.32 21.48 4.79 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 11.7 mt -93.9 116.13 28.56 Favored 'General case' 0 N--CA 1.414 -2.257 0 CA-C-N 112.588 -2.096 . . . . 0.0 109.184 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.87 153.89 28.74 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.4 ttmt -49.61 -50.18 43.81 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.3 0.64 . . . . 0.0 112.268 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.0 69.22 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.926 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -40.12 30.72 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.49 -0.777 . . . . 0.0 108.99 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.0 mt -67.73 -47.82 78.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.305 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 82.3 mt -53.79 -52.91 58.75 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.754 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 23.1 tt0 -63.04 -34.8 78.35 Favored 'General case' 0 C--O 1.204 -1.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.999 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.61 -31.32 71.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.481 HG23 HD11 ' A' ' 61' ' ' ILE . 19.4 m -75.86 -46.93 27.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.936 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.715 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 51.9 t -62.51 -43.84 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.282 0.563 . . . . 0.0 109.841 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 69.2 mttt -64.64 -32.55 74.26 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' A' ' 65' ' ' LEU . 50.8 t60 -66.49 -34.37 77.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.637 177.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.6 pp -72.53 -28.5 62.89 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.125 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 10.9 mmm-85 -67.32 -42.58 83.38 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -61.25 -43.71 98.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.196 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 91' ' ' LEU . 87.3 mt -64.41 -46.27 83.97 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.962 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.8 mm-40 -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -175.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -12.76 57.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.866 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.933 -177.25 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.92 -48.35 66.2 Favored 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 123.478 0.486 . . . . 0.0 110.166 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -56.97 -45.11 83.12 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.28 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.8 ttm180 -63.27 -53.5 51.9 Favored 'General case' 0 C--O 1.203 -1.393 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.929 178.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -51.83 -53.05 44.7 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.749 1.22 . . . . 0.0 111.901 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.92 92.07 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 122.553 0.341 . . . . 0.0 110.394 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -63.45 -35.26 79.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.151 0.282 . . . . 0.0 110.373 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.9 mt -59.45 -59.68 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -57.33 -46.21 83.48 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.19 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.98 -35.25 78.05 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -74.75 -37.75 62.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 119.851 -0.739 . . . . 0.0 109.661 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.62 -34.93 76.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -67.93 -49.46 61.66 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.11 -29.63 68.6 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.924 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.46 ' O ' HG12 ' B' ' 61' ' ' ILE . 6.7 tt -55.96 -58.5 7.64 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.279 1.032 . . . . 0.0 110.846 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -63.55 -30.32 71.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.825 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.42 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 89.1 m -67.6 -51.77 46.34 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.35 -32.77 73.1 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.506 HD11 HG23 ' B' ' 84' ' ' THR . 37.3 mm -63.78 -55.24 23.63 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-O 121.365 0.602 . . . . 0.0 110.15 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.65 -19.52 65.78 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.116 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -77.65 -32.35 53.22 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.031 0.443 . . . . 0.0 111.751 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.54 -32.14 26.02 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.681 0.753 . . . . 0.0 110.002 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.493 HD13 ' HE3' ' B' ' 67' ' ' LYS . 8.2 mt -102.01 -39.8 7.15 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.289 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt 50.17 40.6 22.32 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.917 0.887 . . . . 0.0 110.982 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.493 ' HE3' HD13 ' B' ' 65' ' ' LEU . 89.9 mttt -55.6 -62.82 1.43 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.865 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.7 t70 -162.03 135.09 6.09 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -87.66 -15.43 37.22 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.626 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 14.5 t -70.08 -45.18 67.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -75.16 -20.86 59.15 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 177.311 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -69.45 -28.55 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -90.95 15.71 10.92 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.904 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 71.78 0.83 Allowed 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.508 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 21.2 mt -116.55 117.92 31.2 Favored 'General case' 0 N--CA 1.395 -3.187 0 CA-C-N 113.899 -1.501 . . . . 0.0 111.602 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.65 151.73 28.83 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.8 ttmt -52.63 -42.86 65.0 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.398 0.618 . . . . 0.0 111.319 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.75 -35.38 72.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.547 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.87 -39.78 34.29 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.002 0.906 . . . . 0.0 108.594 -173.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' B' ' 58' ' ' LYS . 76.8 mt -63.51 -51.49 69.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.068 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 83.4 mt -57.84 -47.7 81.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 19.8 tt0 -58.85 -41.92 88.1 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.564 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.454 ' HG3' HG21 ' B' ' 61' ' ' ILE . 36.0 tpp -68.99 -29.51 67.73 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.71 0.767 . . . . 0.0 109.622 -174.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.506 HG23 HD11 ' B' ' 61' ' ' ILE . 20.9 m -75.05 -45.47 41.34 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.072 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 68.9 t -65.68 -42.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.915 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 44.6 mttm -63.12 -36.86 84.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.077 0.465 . . . . 0.0 111.306 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -66.86 -34.29 77.47 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.561 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 3.1 pp -67.64 -33.54 75.17 Favored 'General case' 0 C--O 1.204 -1.327 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.123 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -57.67 -48.99 77.98 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.1 -54.36 40.54 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.965 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.41 ' HB2' HD13 ' A' ' 91' ' ' LEU . 95.6 mt -68.27 -17.42 64.28 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.401 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.95 -39.01 21.97 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.94 7.83 36.75 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.113 -172.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 -5.89 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.71 0.767 . . . . 0.0 109.897 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 CA--C 1.505 -0.779 0 CA-C-O 120.78 0.324 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.55 -34.43 75.83 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -67.98 -47.13 69.41 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -53.82 -52.85 59.03 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.053 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -68.56 -48.23 64.79 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.244 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' ILE . 79.1 ttt180 -53.28 -48.8 68.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.461 0.704 . . . . 0.0 111.685 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -60.69 -49.2 78.45 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.162 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -63.23 -33.24 75.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -57.36 -55.43 20.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.96 -45.62 91.61 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.65 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 54.7 mt-10 -63.26 -37.93 89.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 m -76.07 -39.86 54.45 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.273 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.5 -37.03 85.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 t -58.07 -54.79 42.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -70.17 -31.45 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.89 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -57.23 -59.87 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.349 0.659 . . . . 0.0 110.372 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.96 -27.71 69.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -66.98 -51.32 56.52 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.485 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.91 -31.83 64.91 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 61' ' ' ILE . 18.6 mm -64.52 -35.83 75.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.952 176.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -75.4 -38.89 59.63 Favored 'General case' 0 C--O 1.192 -1.944 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.516 179.135 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.85 -29.16 61.97 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.368 0.604 . . . . 0.0 112.025 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.38 33.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 122.087 -0.383 . . . . 0.0 110.044 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.37 -30.69 16.39 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.414 -0.915 . . . . 0.0 112.113 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 55.01 38.15 30.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.438 1.095 . . . . 0.0 111.588 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -55.8 -71.83 0.08 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.951 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -177.4 152.3 0.83 Allowed 'General case' 0 CA--C 1.465 -2.305 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -82.1 -27.63 32.74 Favored 'General case' 0 N--CA 1.408 -2.548 0 O-C-N 124.048 0.842 . . . . 0.0 111.547 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 t -69.67 -42.52 74.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.414 0.626 . . . . 0.0 109.323 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -7.61 56.96 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.06 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 15.0 t-160 -89.6 -36.5 15.26 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m -70.73 -11.01 60.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.988 0.899 . . . . 0.0 111.579 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -129.34 23.99 5.53 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.693 -179.37 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.547 ' HG ' HG13 ' A' ' 80' ' ' ILE . 12.7 tp -81.57 115.09 20.69 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.686 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.9 mm-40 -72.72 146.2 46.63 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.615 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -49.91 -43.51 49.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.261 0.553 . . . . 0.0 111.355 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.86 -35.02 70.37 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.553 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -79.19 -44.89 20.98 Favored 'General case' 0 CA--C 1.479 -1.776 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.417 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.547 HG13 ' HG ' ' A' ' 75' ' ' LEU . 81.4 mt -54.28 -51.96 43.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.227 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 80.9 mt -59.93 -49.7 76.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.739 0.304 . . . . 0.0 110.276 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.0 tt0 -58.02 -40.16 80.16 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.624 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -31.54 71.97 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.326 -173.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -72.68 -38.9 67.43 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.378 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 54.7 t -67.51 -44.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 66.2 mttt -61.67 -38.57 88.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.37 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.38 -35.19 78.41 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.6 tp -61.03 -43.97 98.09 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -65.6 -42.51 91.54 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.592 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -61.82 -42.3 98.85 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.861 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.27 -44.49 68.31 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.68 -30.39 71.4 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.158 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -4.69 46.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.682 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.952 0 CA-C-O 121.526 0.679 . . . . 0.0 110.981 -177.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -69.25 -40.44 77.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -60.54 -48.53 81.38 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.521 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.532 ' O ' HG13 ' B' ' 50' ' ' ILE . 14.5 ttt180 -62.63 -50.65 70.38 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.07 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -55.14 -44.71 75.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.331 1.052 . . . . 0.0 111.177 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.54 -53.85 52.7 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -61.89 -33.43 74.2 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.563 0.539 . . . . 0.0 111.725 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' ARG . 99.0 mt -60.16 -53.27 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -64.77 -42.68 94.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.411 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 44.1 mt-10 -60.49 -42.39 96.22 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.457 0.473 . . . . 0.0 111.861 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 23.2 m -74.57 -43.19 56.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.458 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 3.3 tt -63.67 -42.44 98.07 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.606 0.717 . . . . 0.0 109.94 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.2 m -68.66 -41.91 78.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.523 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.78 -31.23 67.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.406 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.423 HD21 ' OG1' ' B' ' 84' ' ' THR . 8.9 tt -55.96 -57.35 12.46 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.409 1.084 . . . . 0.0 110.358 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -61.35 -33.55 73.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -66.77 -50.52 62.43 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.07 -29.5 66.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.475 HD11 HG23 ' B' ' 84' ' ' THR . 31.5 mm -67.84 -48.4 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.021 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 4.3 mm? -64.61 -20.25 66.16 Favored 'General case' 0 C--O 1.188 -2.133 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 177.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.493 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 23.8 t70 -83.13 -37.57 23.58 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.145 0.497 . . . . 0.0 111.12 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.77 -34.4 58.03 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.976 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' B' ' 87' ' ' HIS . 4.4 mp -107.38 -37.04 6.34 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.019 -1.073 . . . . 0.0 111.008 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 26.9 mtmt 57.53 71.15 0.6 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.96 0.886 . . . . 0.0 110.68 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.59 -62.11 1.79 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.291 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ASP . . . . . 0.404 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.7 t0 -173.57 149.47 1.65 Allowed 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.0 p -85.93 -21.83 27.74 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.513 0.508 . . . . 0.0 111.867 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -70.47 -46.81 63.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.644 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.08 -15.11 61.5 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.18 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 12.1 t-160 -77.6 -37.84 49.45 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.3 m -89.17 0.07 57.04 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.551 0.691 . . . . 0.0 112.174 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -107.28 -15.63 14.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.765 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 20.3 mt -39.82 110.54 0.15 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.436 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 39.5 mt-10 -80.71 150.61 29.27 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.443 ' O ' HD13 ' B' ' 81' ' ' LEU . 2.9 ttmp? -50.28 -46.68 55.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 112.213 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.37 -29.99 70.25 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 123.834 0.854 . . . . 0.0 112.331 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -78.68 -41.66 30.6 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 72.1 mt -64.6 -51.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.602 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -54.93 -53.12 59.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.663 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.7 tt0 -64.44 -35.66 81.65 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.352 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.468 ' HG2' HG21 ' B' ' 61' ' ' ILE . 44.3 ttp -60.67 -43.82 97.21 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.812 0.815 . . . . 0.0 110.348 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' THR . . . . . 0.475 HG23 HD11 ' B' ' 61' ' ' ILE . 6.9 m -67.39 -41.75 84.46 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.46 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 47.4 t -64.62 -46.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.266 0.555 . . . . 0.0 109.939 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.1 mtmt -61.85 -36.72 82.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.777 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' HIS . . . . . 0.545 ' CG ' HD11 ' B' ' 65' ' ' LEU . 55.2 t60 -70.49 -33.37 71.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.7 pp -66.74 -33.4 75.55 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.915 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.681 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.3 mpt_? -57.64 -50.93 71.52 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 123.507 0.505 . . . . 0.0 109.967 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.4 -47.58 81.32 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 123.897 0.748 . . . . 0.0 111.056 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.23 -22.48 62.9 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.104 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.09 -38.34 31.91 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 120.897 0.38 . . . . 0.0 111.782 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.1 OUTLIER -102.48 13.45 34.51 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.117 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.5 52.39 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.637 0.732 . . . . 0.0 109.787 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.416 -2.173 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.409 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.505 -0.781 0 CA-C-O 121.043 0.449 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.51 -25.77 45.68 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.834 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -34.72 60.63 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -59.7 -50.51 73.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.862 173.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.6 ttm180 -59.22 -48.2 82.52 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.658 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.7 ttt180 -53.63 -49.83 67.02 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.642 0.777 . . . . 0.0 110.969 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.54 -47.35 85.9 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 49' ' ' ARG . 22.4 tpt180 -63.17 -34.47 77.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.671 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.0 mt -60.12 -53.49 47.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.677 175.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -59.47 -43.08 93.33 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.711 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 58.0 mt-10 -59.52 -42.55 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.638 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -76.67 -37.02 56.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.474 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.08 -40.57 78.38 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.677 0.751 . . . . 0.0 109.268 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -69.2 -44.18 72.63 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.771 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -71.22 -27.98 63.87 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.414 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' OG1' ' A' ' 84' ' ' THR . 9.3 tt -58.24 -57.22 13.86 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.273 0.629 . . . . 0.0 110.217 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -61.77 -33.28 73.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -69.48 -47.93 62.32 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.452 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.1 -37.32 72.4 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.43 HG21 ' HG2' ' A' ' 83' ' ' MET . 35.4 mm -62.43 -41.89 93.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.89 0.853 . . . . 0.0 109.201 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 6.5 tp -73.44 -20.61 60.67 Favored 'General case' 0 C--O 1.198 -1.617 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.472 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.18 -33.23 24.24 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.838 0.828 . . . . 0.0 111.049 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -80.77 -37.7 29.89 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.912 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.36 -29.68 10.59 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.78 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 28.1 mtmt 59.17 55.18 4.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.506 0.669 . . . . 0.0 111.989 172.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.82 -72.54 0.15 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.832 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.58 146.21 2.15 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.9 m -83.76 -19.76 34.55 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 123.558 0.536 . . . . 0.0 110.791 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 m -71.88 -40.88 68.63 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 109.415 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -23.42 60.72 Favored 'General case' 0 C--O 1.203 -1.343 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.435 ' ND1' HD22 ' A' ' 62' ' ' LEU . 25.5 t60 -68.34 -28.95 67.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 176.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -86.15 -10.88 53.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.852 0.834 . . . . 0.0 112.081 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.547 ' O ' ' HE2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -91.9 -40.32 11.23 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.374 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' HG13 ' A' ' 80' ' ' ILE . 6.7 tp -38.41 98.17 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 128.57 2.748 . . . . 0.0 111.908 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.4 167.63 19.22 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.413 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.4 ttpt -59.13 -40.25 84.86 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.346 0.593 . . . . 0.0 111.8 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -63.21 -30.48 71.61 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.218 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.37 -52.97 8.25 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.462 HG13 ' HG ' ' A' ' 75' ' ' LEU . 84.2 mt -49.05 -52.44 10.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 113.823 -1.535 . . . . 0.0 112.23 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.9 mt -61.03 -50.04 74.95 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 123.165 0.29 . . . . 0.0 111.049 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 31.0 tt0 -62.99 -33.38 75.28 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.43 ' HG2' HG21 ' A' ' 61' ' ' ILE . 37.3 ttp -56.89 -53.9 52.61 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.453 ' OG1' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -55.39 -44.19 75.9 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.569 0.224 . . . . 0.0 111.548 176.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' LEU . 44.2 t -59.42 -51.39 73.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.529 0.681 . . . . 0.0 110.744 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mtmt -65.8 -30.67 71.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.837 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -77.73 -25.42 49.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.686 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tm? -61.42 -43.03 99.57 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 6.6 mmm-85 -60.53 -48.76 80.34 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.718 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.48 -54.4 47.5 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.371 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.59 -30.65 71.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.798 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.585 HE21 ' HB1' ' B' ' 64' ' ' ALA . 12.3 mm-40 -75.81 -19.38 58.99 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.7 ppt_? -110.57 10.07 23.05 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.789 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 0.0 110.083 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.211 -0.951 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.48 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.16 -47.56 79.38 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.967 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.451 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.9 ttm180 -58.52 -53.27 60.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 123.748 0.655 . . . . 0.0 110.298 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' B' ' 50' ' ' ILE . 64.1 ttt180 -53.55 -47.31 70.14 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 124.626 1.17 . . . . 0.0 110.562 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.63 -52.26 66.16 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ARG . . . . . 0.55 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 9.6 tpp180 -60.23 -31.59 70.33 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.101 0.251 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.461 HD13 ' HE3' ' A' ' 77' ' ' LYS . 97.0 mt -62.99 -57.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -62.73 -38.37 90.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.39 -37.61 77.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.247 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 19.8 p -72.02 -36.0 69.56 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.652 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.37 -38.0 88.73 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.138 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 t -63.94 -49.84 71.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.527 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -69.2 -28.03 66.01 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.58 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 53' ' ' SER . 8.6 tt -60.94 -59.12 5.88 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.066 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -57.78 -38.9 76.26 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.234 0.334 . . . . 0.0 110.609 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.6 m -58.79 -52.66 64.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.848 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.2 -29.37 57.61 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.93 -47.42 88.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 120.899 0.38 . . . . 0.0 110.259 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.93 63.34 Favored 'General case' 0 C--O 1.205 -1.287 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 59' ' ' THR . 6.1 t70 -73.28 -37.62 66.19 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 121.135 0.493 . . . . 0.0 111.07 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.585 ' HB1' HE21 ' A' ' 92' ' ' GLN . . . -82.83 -42.93 17.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.301 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.46 -29.97 27.61 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.018 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt 49.77 67.31 0.92 Allowed 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 124.381 1.072 . . . . 0.0 113.107 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.468 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -83.8 -72.83 0.44 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.145 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -175.29 155.51 1.89 Allowed 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 t -80.89 -29.16 35.72 Favored 'General case' 0 N--CA 1.405 -2.688 0 O-C-N 123.738 0.649 . . . . 0.0 111.719 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -64.23 -47.09 80.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.729 0.3 . . . . 0.0 110.473 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 9.5 ptp180 -68.7 -38.85 80.6 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.258 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 10.7 t-160 -56.65 -33.75 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 26.6 m -77.64 -1.23 29.89 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 122.089 0.947 . . . . 0.0 111.561 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' OD2' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -109.82 -29.14 8.43 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.002 176.202 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.411 HD23 HG12 ' B' ' 80' ' ' ILE . 3.5 tp -45.03 110.99 0.27 Allowed 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.761 1.624 . . . . 0.0 113.026 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.2 164.8 17.87 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.631 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.671 ' HE3' HD13 ' A' ' 50' ' ' ILE . 25.5 ttpt -54.65 -40.22 68.8 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.541 0.525 . . . . 0.0 111.732 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.93 68.84 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.495 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.455 ' OD2' ' HE2' ' B' ' 74' ' ' LYS . 42.5 m-20 -77.7 -53.01 8.04 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.411 HG12 HD23 ' B' ' 75' ' ' LEU . 83.1 mt -50.07 -50.13 20.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 113.664 -1.607 . . . . 0.0 111.535 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.508 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -60.44 -46.75 88.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.63 0.581 . . . . 0.0 112.203 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.682 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.3 tt0 -64.82 -37.54 87.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.767 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 27.6 tpp -62.06 -30.95 71.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -44.26 49.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.519 0.676 . . . . 0.0 109.493 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.6 t -61.82 -40.62 87.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.375 0 CA-C-O 122.268 1.032 . . . . 0.0 109.676 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.3 mtmt -69.25 -30.64 68.81 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.031 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.52 80.6 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -52.76 64.2 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.477 ' NH1' HG12 ' B' ' 85' ' ' VAL . 4.5 mpt_? -58.68 -46.91 86.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.721 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 90.0 m-20 -59.75 -47.9 83.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 123.571 0.748 . . . . 0.0 112.588 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -74.05 -37.01 64.42 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' GLN . . . . . 0.54 HE21 ' HB1' ' A' ' 64' ' ' ALA . 13.3 mm-40 -70.18 -24.11 63.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -86.76 -8.64 57.19 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.775 0.798 . . . . 0.0 109.643 -179.433 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.22 59.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.004 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 120.853 0.359 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.85 -30.28 66.63 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.239 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -71.74 -34.97 69.97 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -64.08 -43.17 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.576 0.703 . . . . 0.0 109.441 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.37 -49.36 60.74 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.813 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.12 -46.86 75.62 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.433 1.093 . . . . 0.0 111.755 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.25 -49.33 74.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.29 -36.92 83.58 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.041 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.76 -49.7 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 110.0 176.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -63.96 -44.81 91.65 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 30.1 mm-40 -63.48 -40.5 97.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.215 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.5 p -74.93 -41.81 58.94 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.933 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.2 -40.58 96.54 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -68.28 -42.4 79.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.327 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -69.38 -32.76 72.0 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 119.711 -0.796 . . . . 0.0 108.862 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD21 ' OG1' ' A' ' 84' ' ' THR . 8.3 tt -57.66 -58.86 6.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.961 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.83 -34.83 72.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.254 0.346 . . . . 0.0 111.092 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 m -64.12 -52.95 56.68 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.918 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.22 -33.45 67.58 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -65.53 -52.36 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 O-C-N 123.105 0.253 . . . . 0.0 111.424 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -61.75 -32.04 72.26 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.591 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.8 -26.73 57.53 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 123.893 0.877 . . . . 0.0 111.148 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -83.63 -29.32 27.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.177 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.9 mp -98.04 -35.71 10.35 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.002 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 58.96 69.41 0.73 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.921 1.343 . . . . 0.0 111.878 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HE2' HD22 ' A' ' 65' ' ' LEU . 67.3 mttm -85.94 -65.79 0.97 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 112.929 -1.942 . . . . 0.0 111.214 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -175.18 147.25 0.89 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 t -83.03 -20.16 35.54 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-O 121.072 0.463 . . . . 0.0 110.492 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -71.78 -43.66 65.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -6.43 56.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.369 0.604 . . . . 0.0 110.349 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 13.1 t-160 -89.38 -18.3 27.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.875 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 m -98.09 -4.81 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.876 0.846 . . . . 0.0 111.187 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.38 73.83 1.55 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.75 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.1 tp -126.79 107.32 10.03 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.27 -173.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -76.73 149.89 36.32 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.538 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -48.35 -45.7 35.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.209 0.603 . . . . 0.0 112.422 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -63.87 -31.72 73.0 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.95 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -78.44 -35.2 47.19 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.245 1.021 . . . . 0.0 108.506 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.8 mt -67.9 -52.33 40.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.736 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 mt -55.8 -51.77 66.32 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 123.378 0.424 . . . . 0.0 109.971 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 24.3 tt0 -59.36 -36.51 75.86 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.505 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.0 ttm -67.54 -39.75 85.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.814 0.816 . . . . 0.0 109.519 -176.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.427 ' OG1' HD21 ' A' ' 57' ' ' LEU . 9.0 m -67.7 -44.81 76.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.004 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 81' ' ' LEU . 45.2 t -66.38 -43.41 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.43 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.25 -36.09 82.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.538 -178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' A' ' 65' ' ' LEU . 9.9 t-80 -70.67 -27.25 63.88 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 27.1 tp -61.85 -45.63 92.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.8 mpt_? -57.77 -47.57 82.14 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.443 0.464 . . . . 0.0 109.804 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -54.38 -54.44 40.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 124.126 0.891 . . . . 0.0 111.623 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -66.27 -34.98 79.22 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.355 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -70.14 -19.6 63.21 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.1 ppt_? -111.04 -1.57 16.24 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 121.929 -0.482 . . . . 0.0 111.84 -175.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.188 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.53 -177.21 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 CA--C 1.502 -0.877 0 N-CA-C 111.368 0.136 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -68.86 -46.95 67.17 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -59.39 -49.94 75.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.44 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ARG . . . . . 0.568 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.4 ttm180 -63.96 -57.17 10.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.388 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.6 ttt180 -60.08 -39.14 85.03 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 122.97 0.508 . . . . 0.0 111.847 -174.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -57.08 -54.51 45.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.593 0.558 . . . . 0.0 109.555 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -65.66 -27.97 68.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.986 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 46' ' ' ARG . 92.7 mt -61.54 -54.14 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -66.04 -43.72 86.73 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.473 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 49.1 mt-10 -61.66 -43.2 99.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.875 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -75.99 -37.66 58.25 Favored 'General case' 0 N--CA 1.436 -1.175 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.978 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.77 -39.32 80.29 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -65.5 -48.77 71.45 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLN . . . . . 0.464 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.3 pt20 -68.6 -28.75 67.2 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.518 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.82 -58.74 7.05 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -61.32 -30.56 70.57 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 50.0 m -66.78 -54.7 20.01 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.921 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.64 -41.04 96.42 Favored 'General case' 0 C--O 1.2 -1.506 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.439 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.65 -45.9 90.55 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 CA-C-O 121.599 0.714 . . . . 0.0 111.482 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.457 HD22 ' HD2' ' B' ' 67' ' ' LYS . 0.8 OUTLIER -70.02 -41.92 73.64 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.068 -177.179 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 9.8 t70 -79.93 -28.08 39.76 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -173.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -31.85 31.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.73 -16.4 15.46 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 118.671 -1.212 . . . . 0.0 112.686 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' B' ' 63' ' ' ASP 0.267 23.5 mtmt 48.74 65.26 1.4 Allowed 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.635 1.174 . . . . 0.0 113.862 178.448 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.457 ' HD2' HD22 ' B' ' 62' ' ' LEU . 47.8 mttp -62.31 -80.84 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.548 -2.115 . . . . 0.0 111.365 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -177.27 154.22 1.02 Allowed 'General case' 0 CA--C 1.475 -1.912 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -85.36 -26.41 26.51 Favored 'General case' 0 C--N 1.269 -2.898 0 O-C-N 123.818 0.699 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.0 t -67.8 -43.66 79.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -10.13 59.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.695 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.456 ' ND1' ' HG ' ' B' ' 62' ' ' LEU . 80.2 t60 -67.44 -21.45 65.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.532 0.682 . . . . 0.0 109.375 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -85.39 10.19 13.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -141.98 73.23 1.4 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.555 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.0 OUTLIER -133.49 117.04 16.69 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.987 174.322 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -94.61 159.31 15.14 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 24.7 ttpt -55.57 -41.44 73.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.212 0.46 . . . . 0.0 112.006 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.92 71.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.183 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.61 -43.01 27.41 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.967 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.78 -46.19 96.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.845 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.8 mt -62.02 -50.54 71.61 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.399 0.437 . . . . 0.0 110.129 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 14.7 tt0 -57.83 -37.68 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.956 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.1 tpp -59.64 -48.64 80.85 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 123.541 0.526 . . . . 0.0 109.859 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -40.99 90.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' VAL . . . . . 0.537 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 48.4 t -65.75 -48.41 82.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.197 0.522 . . . . 0.0 110.096 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 77.9 mttt -65.38 -33.72 76.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.439 0.638 . . . . 0.0 110.764 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.27 -26.99 60.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.477 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 24.3 tp -60.27 -43.75 95.94 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 7.6 mmm-85 -61.34 -48.23 82.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.952 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.53 -54.49 46.41 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.613 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 86.2 mt -70.84 -17.24 62.75 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.608 -176.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' GLN . . . . . 0.405 HE21 ' HB1' ' A' ' 64' ' ' ALA . 9.5 mm-40 -86.6 -19.58 29.16 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -107.75 4.94 26.18 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.669 179.284 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -12.87 61.73 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.953 0.882 . . . . 0.0 110.424 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.403 -2.809 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tptt 65.87 88.95 0.11 Allowed Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 124.148 0.979 . . . . 0.0 111.563 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -78.68 106.05 2.05 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 122.247 1.964 . . . . 0.0 111.302 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -87.26 102.06 14.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.9 m -116.9 -23.01 8.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.181 0.515 . . . . 0.0 110.654 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.52 101.68 5.23 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-O 121.02 0.438 . . . . 0.0 110.639 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 p -147.89 -45.66 0.16 Allowed 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.451 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.19 155.2 18.17 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -89.39 104.82 17.34 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 120.657 0.265 . . . . 0.0 111.41 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -87.41 86.86 7.28 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -144.77 127.04 15.77 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 113.306 -1.77 . . . . 0.0 107.92 -169.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m -135.31 132.02 37.19 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 119.502 -0.285 . . . . 0.0 110.48 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p 176.27 177.88 0.23 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 125.082 1.353 . . . . 0.0 108.434 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HE2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 mmpt? -91.02 131.95 35.7 Favored Pre-proline 0 C--N 1.305 -1.353 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 11.4 Cg_endo -56.73 -40.64 82.86 Favored 'Trans proline' 0 C--O 1.23 0.085 0 C-N-CA 123.272 2.648 . . . . 0.0 111.524 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.536 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.3 tt -68.83 -46.31 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.793 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm -67.16 -40.31 86.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.44 -25.2 63.09 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.775 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.2 60.22 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 79.2 mtp180 -65.99 -42.11 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.8 ttm180 -59.43 -48.62 80.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.612 175.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 50' ' ' ILE . 78.3 ttt180 -52.71 -45.25 66.83 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.176 0.99 . . . . 0.0 111.592 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.36 -49.96 75.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 123.75 0.656 . . . . 0.0 109.703 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -65.03 -31.31 72.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.7 mt -59.2 -52.73 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.955 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 44.9 mt-10 -57.04 -45.77 82.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.356 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.8 m -69.1 -45.24 70.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.531 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.2 -36.29 83.73 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.692 0.62 . . . . 0.0 110.24 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 22.9 t -63.26 -53.34 54.47 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.198 0.523 . . . . 0.0 110.547 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -71.15 -25.76 62.7 Favored 'General case' 0 C--N 1.317 -0.848 0 O-C-N 121.776 -0.577 . . . . 0.0 110.892 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' ILE . 6.1 tt -59.38 -57.63 12.14 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 123.823 0.849 . . . . 0.0 110.487 177.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' SER . 65.8 pttt -58.64 -37.74 76.59 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.8 0.333 . . . . 0.0 110.706 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.8 m -58.81 -59.79 4.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.637 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.02 -27.89 66.93 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 84' ' ' THR . 41.0 mm -71.41 -55.26 14.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.266 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -174.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.662 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 3.6 m-20 -74.71 -24.77 58.8 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.07 63.95 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.971 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD22 ' NZ ' ' A' ' 67' ' ' LYS . 3.7 mp -99.95 -19.77 16.43 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 119.571 -0.852 . . . . 0.0 111.373 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.662 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.3 mmpt? 63.35 48.83 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.641 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.834 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 48.2 mttp -57.41 -77.44 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.812 174.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.547 ' OD2' ' HB3' ' A' ' 70' ' ' SER . 34.0 t70 -168.74 131.45 1.35 Allowed 'General case' 0 CA--C 1.461 -2.462 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.6 m -86.78 -15.34 39.63 Favored 'General case' 0 N--CA 1.406 -2.644 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.9 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB3' ' OD2' ' A' ' 68' ' ' ASP . 38.2 t -71.8 -49.67 36.57 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -71.63 -13.29 61.71 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.58 ' HA ' HD13 ' A' ' 75' ' ' LEU . 14.1 t-80 -67.11 -16.74 64.51 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.156 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.1 p -79.17 -6.2 55.98 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.71 0.766 . . . . 0.0 110.989 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -142.89 74.81 1.46 Allowed 'General case' 0 N--CA 1.424 -1.764 0 CA-C-O 122.352 1.073 . . . . 0.0 109.101 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.39 123.64 50.56 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.853 171.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -64.99 142.88 58.28 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.0 ttmt -50.49 -39.73 49.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -64.99 -32.21 73.83 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.65 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' ' 83' ' ' MET . 21.1 t70 -76.13 -34.33 59.45 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 78.8 mt -68.26 -50.18 60.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.653 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.6 mt -60.43 -50.96 71.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 11.5 tt0 -59.71 -35.51 74.66 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.834 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 24.6 tpp -67.37 -35.12 78.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.691 0.758 . . . . 0.0 109.298 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.439 HG23 HD11 ' A' ' 61' ' ' ILE . 14.1 m -72.3 -44.16 63.14 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.052 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' LEU . 60.8 t -63.8 -42.88 97.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mttm -66.3 -36.7 83.62 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.626 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.24 -27.07 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tt -64.47 -43.4 94.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.649 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 18.0 mmm180 -61.93 -45.04 95.45 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.517 -1.22 . . . . 0.0 109.137 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.52 -48.44 81.66 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.487 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 97.7 mt -62.99 -34.95 78.64 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.207 0.527 . . . . 0.0 111.697 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -70.53 -28.93 65.32 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.59 -7.88 8.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -173.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.53 -8.65 40.76 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.427 -0.796 . . . . 0.0 110.837 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.426 -1.636 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' B' ' 28' ' ' PRO . 2.9 mpp? . . . . . 0 CA--C 1.501 -0.932 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.44 91.86 10.74 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' B' ' 26' ' ' MET . 3.9 Cg_exo -81.3 176.2 8.95 Favored 'Trans proline' 0 N--CA 1.437 -1.816 0 C-N-CA 122.135 1.89 . . . . 0.0 111.203 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -67.93 95.65 0.55 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.95 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -62.85 129.5 40.7 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-O 121.748 0.785 . . . . 0.0 111.223 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.18 122.74 41.71 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.175 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -85.05 85.77 7.45 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -81.33 100.75 9.38 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.852 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -109.9 121.97 46.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -75.13 119.82 19.8 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.493 0.663 . . . . 0.0 111.973 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -158.54 87.34 0.88 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 173.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.5 m -95.46 154.59 17.13 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.556 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 15.9 p -152.96 -78.64 0.11 Allowed 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.565 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 7.9 mmpt? -105.93 116.76 59.16 Favored Pre-proline 0 C--N 1.278 -2.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.596 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.04 -40.96 81.71 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 123.316 2.678 . . . . 0.0 111.552 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.573 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 9.1 tt -69.82 -45.84 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.608 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mmt -69.39 -39.87 77.73 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.45 -26.05 62.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -75.28 -40.74 58.4 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 69.5 mtp180 -62.83 -40.81 98.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.46 176.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.573 ' O ' HG13 ' B' ' 50' ' ' ILE . 37.8 ttm180 -58.06 -54.8 42.84 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.267 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' B' ' 50' ' ' ILE . 20.2 ttt180 -52.1 -50.02 62.45 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 124.535 1.134 . . . . 0.0 111.305 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.85 -48.21 78.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.103 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 12.6 tpp180 -66.25 -31.11 71.73 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.954 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -61.59 -45.21 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.33 -43.39 86.26 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.173 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 28.4 mm-40 -57.05 -44.8 83.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.981 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p -76.31 -42.07 46.45 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.575 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.55 -38.56 91.61 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.71 -49.72 71.98 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.707 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.731 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -56.02 -58.46 7.83 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.006 0.923 . . . . 0.0 109.67 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.02 -44.35 70.88 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.914 0.885 . . . . 0.0 110.725 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -60.43 -55.31 35.06 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.943 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.02 -31.61 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 28.2 mm -66.72 -55.5 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.515 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.62 -28.76 70.13 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 0.5 OUTLIER -80.54 -25.79 38.44 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.35 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.77 -32.07 25.6 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -90.18 -30.52 17.54 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.436 -0.505 . . . . 0.0 111.073 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 56.33 58.07 4.51 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.133 0.968 . . . . 0.0 110.5 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.717 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -78.27 -73.8 0.3 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.368 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -169.59 154.01 5.35 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -85.65 -21.63 28.31 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.757 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -73.64 -37.95 65.17 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -81.01 -6.49 58.85 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -81.87 -41.01 21.59 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 34.0 m -78.88 9.61 4.09 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.731 0.777 . . . . 0.0 110.723 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -139.19 30.08 2.21 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.737 1.256 . . . . 0.0 107.615 178.322 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 17.9 mt -85.07 107.49 17.2 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.835 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.58 148.61 42.77 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 27.7 ttmt -50.9 -43.11 59.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.9 71.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.154 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' B' ' 83' ' ' MET . 39.3 t0 -74.36 -39.6 62.65 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.1 mt -66.25 -52.46 47.35 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.564 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.7 mt -57.94 -52.65 64.62 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.638 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 37.9 tt0 -68.08 -28.04 67.01 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.013 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.717 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 46.3 tpp -64.4 -36.65 84.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.444 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 7.8 m -65.42 -44.56 87.01 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.765 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 44.3 t -67.68 -39.71 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.769 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 49.7 mtmt -68.28 -39.02 82.27 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 122.06 -0.4 . . . . 0.0 111.05 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' B' ' 65' ' ' LEU . 67.8 t60 -64.95 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.644 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 15.8 tp -62.88 -41.89 99.57 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.957 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 19.5 mmm180 -67.06 -40.96 87.2 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -62.14 -47.74 83.21 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.634 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 92.9 mt -64.78 -42.16 95.29 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.305 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.35 -12.02 59.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -104.18 -8.12 19.64 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.655 0.74 . . . . 0.0 111.631 174.26 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.12 36.99 1.03 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.287 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -178.177 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -104.48 110.44 64.28 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -88.99 -165.81 0.22 Allowed 'Trans proline' 0 C--O 1.254 1.294 0 C-N-CA 122.539 2.159 . . . . 0.0 111.276 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -79.84 97.15 6.55 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 t -63.78 -28.66 70.02 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.121 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.13 73.14 10.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 m -77.19 95.2 4.24 Favored 'General case' 0 N--CA 1.42 -1.939 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.902 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.97 -48.02 83.02 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.032 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -88.26 94.32 9.79 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.764 0.792 . . . . 0.0 109.731 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -166.61 -57.04 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -167.94 140.49 3.12 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.09 135.47 36.34 Favored 'General case' 0 C--N 1.266 -3.053 0 C-N-CA 123.027 0.531 . . . . 0.0 109.749 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -87.5 -12.6 45.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.325 0.584 . . . . 0.0 111.373 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -106.08 114.5 62.46 Favored Pre-proline 0 N--CA 1.422 -1.845 0 O-C-N 122.008 -0.432 . . . . 0.0 111.54 175.036 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' HE3' ' A' ' 39' ' ' LYS . 23.8 Cg_endo -66.33 -33.2 39.44 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.01 2.473 . . . . 0.0 110.595 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.3 tt -66.94 -42.64 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.122 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.68 -43.92 83.14 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.99 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.9 -21.81 59.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.225 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -42.22 54.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.302 -1.369 . . . . 0.0 107.302 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -61.33 -45.2 95.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.554 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.555 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.8 ttp180 -56.55 -54.31 47.38 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.035 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.709 ' HA ' HD12 ' A' ' 50' ' ' ILE . 47.3 ttp180 -52.77 -44.55 66.6 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.054 0.846 . . . . 0.0 112.639 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.17 94.42 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -63.73 -33.1 74.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 47' ' ' ARG . 87.6 mt -57.98 -55.27 22.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.47 -39.04 92.13 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.412 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 18.2 mm-40 -67.57 -36.53 81.1 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.193 177.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 m -76.13 -36.54 58.77 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 tt -67.79 -32.6 73.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.9 t -59.83 -53.96 51.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.988 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -70.45 -32.22 69.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.173 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.536 ' CD2' HG21 ' A' ' 84' ' ' THR . 2.0 tm? -54.07 -59.54 4.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.186 1.394 . . . . 0.0 108.229 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -58.26 -38.46 76.99 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.764 175.109 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.4 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 88.6 m -62.76 -53.6 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.069 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -28.9 66.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.562 HD11 HG23 ' A' ' 84' ' ' THR . 21.7 mm -66.59 -48.0 81.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.241 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -73.72 -20.62 60.47 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.231 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -82.46 -37.8 24.86 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 122.62 0.368 . . . . 0.0 111.938 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.49 -44.09 15.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.129 0.49 . . . . 0.0 110.353 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 87' ' ' HIS . 6.6 mp -82.66 -31.04 28.91 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.57 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 35.7 mtmt 47.86 67.78 0.77 Allowed 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 122.541 1.162 . . . . 0.0 112.251 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.3 -76.99 0.08 Allowed 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.997 -1.91 . . . . 0.0 109.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.1 t70 -176.32 152.16 1.08 Allowed 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.5 t -82.49 -24.87 33.97 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.224 0.535 . . . . 0.0 109.949 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -72.43 -45.6 58.89 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.272 0.558 . . . . 0.0 110.562 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.09 -11.21 57.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.064 -177.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -57.18 -43.08 82.29 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.617 0.767 . . . . 0.0 109.95 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -78.84 14.09 1.48 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.42 12.33 6.45 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-O 122.229 1.014 . . . . 0.0 109.478 173.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -81.02 111.53 17.58 Favored 'General case' 0 N--CA 1.417 -2.095 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.32 172.028 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.8 163.92 25.67 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.6 ttmt -52.59 -43.98 65.65 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -27.59 69.01 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.034 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -78.54 -43.82 25.81 Favored 'General case' 0 CA--C 1.491 -1.316 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.56 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.209 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 mp -57.43 -52.97 63.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 5.6 pt-20 -67.21 -27.13 67.0 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.819 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.6 tpp -69.62 -36.55 76.25 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.391 0.615 . . . . 0.0 109.706 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.562 HG23 HD11 ' A' ' 61' ' ' ILE . 4.0 m -68.79 -37.54 79.36 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.675 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 81' ' ' LEU . 96.8 t -63.55 -46.19 95.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.197 175.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 46.9 mttm -62.88 -40.93 99.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.145 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' CG ' HD11 ' A' ' 65' ' ' LEU . 11.5 t-160 -60.68 -33.3 72.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.651 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.506 HD22 HH11 ' A' ' 89' ' ' ARG . 4.3 tt -65.47 -44.4 87.31 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.506 HH11 HD22 ' A' ' 88' ' ' LEU . 21.8 mmm180 -66.26 -47.09 74.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.09 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.35 -45.91 87.28 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.248 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -69.2 -41.11 77.54 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.701 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -62.27 -28.18 69.53 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.31 9.7 41.56 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.8 0.809 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.4 7.6 45.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.461 HE22 HD22 ' B' ' 91' ' ' LEU . 24.7 mt-30 . . . . . 0 N--CA 1.425 -1.72 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 CA--C 1.491 -1.306 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 67.6 mttm -68.42 117.09 46.57 Favored Pre-proline 0 C--N 1.312 -1.041 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 27' ' ' LYS . 5.7 Cg_exo -73.02 124.79 9.85 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.443 2.096 . . . . 0.0 113.04 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.93 113.01 22.35 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 37.7 p 48.29 81.42 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.78 1.232 . . . . 0.0 114.213 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.44 81.12 1.86 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.293 0.568 . . . . 0.0 110.757 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -91.45 -20.3 21.91 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.022 0.915 . . . . 0.0 109.881 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -141.08 166.16 25.55 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -75.71 65.81 1.93 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.947 0.879 . . . . 0.0 111.573 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -110.96 88.23 2.73 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -158.54 126.4 5.15 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m 60.89 52.61 4.13 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 82.78 3.93 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.103 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -106.46 124.14 36.64 Favored Pre-proline 0 C--N 1.282 -2.327 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.307 170.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 18.3 Cg_endo -55.92 -40.25 86.22 Favored 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 123.084 2.523 . . . . 0.0 112.023 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -74.86 -44.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.131 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 91.9 mmm -69.11 -40.03 78.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 111.315 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.7 pt-20 -78.31 -19.89 52.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.293 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 40' ' ' PRO . 40.2 ttpt -67.25 -39.76 86.16 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 76.6 mtp180 -66.48 -42.67 87.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.674 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.414 ' O ' HG13 ' B' ' 50' ' ' ILE . 54.2 ttp180 -58.43 -51.24 70.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.678 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.673 ' HA ' HD12 ' B' ' 50' ' ' ILE . 40.7 ttt180 -56.38 -37.89 70.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.831 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.65 -46.26 89.56 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 4.9 mpt_? -64.94 -32.65 74.47 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.349 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' B' ' 47' ' ' ARG . 81.9 mt -58.94 -52.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.28 -46.23 91.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.466 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 44.6 mm-40 -64.8 -34.86 79.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.046 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 40.0 m -77.14 -32.26 56.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.934 -0.479 . . . . 0.0 111.195 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -75.56 -35.41 60.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.534 0.683 . . . . 0.0 109.44 -178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 p -71.27 -42.0 69.33 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.885 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.86 -33.23 75.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 7.8 tt -58.62 -56.24 24.73 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.435 1.094 . . . . 0.0 109.115 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.511 ' HE3' ' NE2' ' B' ' 72' ' ' HIS . 37.1 ttpt -52.09 -42.67 63.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.079 0.952 . . . . 0.0 110.541 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -63.44 -55.57 23.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.604 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -30.06 68.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.453 HD11 HG23 ' B' ' 84' ' ' THR . 22.2 mm -64.73 -52.23 57.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' B' ' 66' ' ' LYS . 3.6 mm? -66.36 -19.64 65.86 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.72 -0.612 . . . . 0.0 111.92 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -82.51 -34.57 27.9 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.133 0.492 . . . . 0.0 111.339 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.22 -37.59 23.38 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.0 mp -94.3 -33.34 13.26 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.653 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 62' ' ' LEU . 35.0 mtmt 49.82 67.94 0.82 Allowed 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 122.512 1.149 . . . . 0.0 112.638 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.635 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.3 mttm -82.75 -78.85 0.2 Allowed 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.372 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.521 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 10.7 m-20 -152.92 142.98 22.31 Favored 'General case' 0 CA--C 1.492 -1.254 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.8 p -86.9 -16.24 36.56 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.004 0.43 . . . . 0.0 111.583 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -79.34 -32.55 43.3 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.73 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.521 ' HG2' ' HB2' ' B' ' 68' ' ' ASP . 15.3 ptp180 -74.99 -37.03 61.96 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.511 ' NE2' ' HE3' ' B' ' 58' ' ' LYS . 3.6 t-160 -48.76 126.65 12.39 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.547 1.139 . . . . 0.0 109.83 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . 0.349 53.9 m 86.23 -27.55 0.08 Allowed 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.541 1.536 . . . . 0.0 113.739 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.548 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -90.27 -5.0 56.81 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.829 1.776 . . . . 0.0 106.88 171.444 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.483 HD23 HG12 ' B' ' 80' ' ' ILE . 14.2 tp -69.4 123.04 20.19 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.21 155.21 28.72 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.503 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 50' ' ' ILE . 34.2 ttmt -50.92 -43.28 59.92 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 123.828 0.705 . . . . 0.0 111.636 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.21 70.39 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.898 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.53 -52.08 9.01 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 75' ' ' LEU . 60.9 mt -52.83 -50.98 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.901 -1.5 . . . . 0.0 110.657 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -54.78 -53.07 59.98 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.211 0.319 . . . . 0.0 111.495 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.707 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -61.17 -37.33 82.51 Favored 'General case' 0 C--O 1.205 -1.252 0 O-C-N 123.368 0.417 . . . . 0.0 110.997 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 30.7 tpp -64.26 -38.67 91.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.553 0.692 . . . . 0.0 109.162 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.453 HG23 HD11 ' B' ' 61' ' ' ILE . 8.4 m -71.19 -41.86 69.77 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.008 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 60.9 t -59.65 -54.89 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.5 mtmt -56.1 -42.32 76.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.582 0.753 . . . . 0.0 111.531 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.563 ' CG ' HD11 ' B' ' 65' ' ' LEU . 82.0 t60 -68.22 -32.18 72.2 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.8 pp -74.1 -26.93 60.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 13.0 mmm180 -67.44 -46.84 71.9 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -54.43 -53.76 49.86 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.825 0.703 . . . . 0.0 109.689 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 95.6 mt -63.94 -17.42 63.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.509 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -82.16 -37.86 25.53 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.45 ' H ' ' HD3' ' B' ' 93' ' ' ARG . 0.0 OUTLIER -116.93 -17.32 10.43 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 117.868 -1.533 . . . . 0.0 114.719 -173.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.63 -1.23 20.71 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.67 0.748 . . . . 0.0 112.576 -173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.286 -2.162 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.424 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mtm . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 56.32 93.05 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 112.464 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -71.78 48.08 1.03 Allowed 'Trans proline' 0 CA--C 1.553 1.464 0 C-N-CA 123.851 3.034 . . . . 0.0 114.393 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -74.53 -55.08 6.32 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m -107.66 100.32 9.73 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.66 -25.94 0.56 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -123.71 -9.0 7.88 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.36 0.6 . . . . 0.0 110.45 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -58.94 -56.5 21.39 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 124.275 1.03 . . . . 0.0 109.382 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -156.65 117.18 3.64 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.457 -1.247 . . . . 0.0 107.739 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.7 70.55 4.14 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? 177.68 117.0 0.03 OUTLIER 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.492 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.8 t 62.06 40.29 12.22 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 122.08 0.943 . . . . 0.0 109.161 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 m -77.93 36.7 0.23 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.718 1.207 . . . . 0.0 111.985 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HE3' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -104.62 139.42 20.08 Favored Pre-proline 0 C--N 1.304 -1.382 0 C-N-CA 123.306 0.643 . . . . 0.0 109.363 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' HE3' ' A' ' 39' ' ' LYS . 18.5 Cg_endo -62.57 -33.67 77.42 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.619 2.213 . . . . 0.0 111.116 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.2 tt -70.99 -42.49 76.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.204 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.421 ' CG ' ' HB2' ' A' ' 39' ' ' LYS . 26.1 mmt -67.57 -41.52 84.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 40' ' ' PRO . 10.5 pt-20 -69.22 -29.49 67.45 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.53 -41.08 76.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 82.5 mtp180 -62.17 -48.05 81.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.406 177.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' ILE . 20.5 ttm180 -59.23 -49.09 79.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.09 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.5 ttm180 -65.13 -35.02 79.8 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 123.942 0.897 . . . . 0.0 111.986 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.84 91.37 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -63.71 -35.55 80.93 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 47' ' ' ARG . 95.1 mt -58.07 -57.13 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 122.229 0.211 . . . . 0.0 110.437 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -60.89 -43.08 98.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.029 0.443 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 27.5 mm-40 -66.9 -34.17 77.2 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -76.41 -40.07 51.81 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.08 -43.13 96.37 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -59.72 -53.04 62.67 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.45 -29.27 67.87 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.108 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.13 -55.65 30.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.423 0.689 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -38.98 90.29 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.718 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -62.12 -58.32 8.23 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.494 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.87 -36.99 82.89 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG23 ' A' ' 84' ' ' THR . 27.7 mm -63.81 -55.79 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.8 OUTLIER -60.74 -39.46 88.75 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.662 -175.44 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.26 -24.83 59.34 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.15 -42.8 16.92 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.181 0.991 . . . . 0.0 109.713 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.88 -33.69 14.82 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.84 -171.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt 57.72 73.77 0.45 Allowed 'General case' 0 CA--C 1.499 -1.003 0 CA-C-O 122.817 1.294 . . . . 0.0 110.377 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.67 -60.01 2.71 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 112.03 -2.35 . . . . 0.0 110.659 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 171.58 153.83 0.07 Allowed 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -86.31 -24.15 26.01 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.993 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -73.61 -42.67 61.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -77.17 -10.97 59.75 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.305 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.548 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 13.6 t-160 -72.91 -25.49 61.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -96.9 16.2 20.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -131.75 26.94 4.67 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.375 1.083 . . . . 0.0 108.435 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 71' ' ' ARG . 1.9 mm? -84.59 127.98 34.35 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.302 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 79' ' ' ASP . 34.4 mt-10 -106.36 154.88 20.15 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 104.759 -2.312 . . . . 0.0 104.759 175.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.4 ttmt -52.55 -47.01 67.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 118.97 0.805 . . . . 0.0 112.7 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.53 72.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.446 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 76' ' ' GLU . 25.8 t0 -74.76 -32.74 62.16 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.125 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 77' ' ' LYS . 77.1 mt -70.38 -49.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.725 177.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 64.9 mt -60.32 -53.03 62.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.556 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.1 tt0 -61.46 -34.57 75.66 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.785 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 40.2 ttp -62.09 -47.4 84.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.408 HG23 HD11 ' A' ' 61' ' ' ILE . 6.0 m -61.79 -37.92 86.16 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.311 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.555 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 47.2 t -70.41 -47.74 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.708 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -63.73 -40.32 96.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.724 0.773 . . . . 0.0 110.108 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -72.41 -25.21 61.4 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.412 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.8 tp -61.54 -40.35 94.36 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.72 -42.34 91.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.83 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.42 -50.59 73.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.737 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.38 -25.11 64.9 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -80.67 -27.85 36.97 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -3.33 54.59 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.89 49.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.427 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.428 -1.555 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 151.04 32.94 Favored Pre-proline 0 C--N 1.297 -1.681 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 173.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.69 127.22 24.42 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.773 1.648 . . . . 0.0 109.222 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -104.58 8.09 35.28 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 122.217 1.008 . . . . 0.0 109.877 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m -147.64 119.01 7.84 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.93 107.72 0.66 Allowed 'General case' 0 C--O 1.246 0.898 0 O-C-N 124.101 0.876 . . . . 0.0 111.534 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 38.72 1.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.925 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -77.79 -72.6 0.35 Allowed 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -151.78 18.38 0.7 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.48 0.657 . . . . 0.0 109.643 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 66.06 12.71 8.66 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.896 1.331 . . . . 0.0 110.618 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -114.08 83.44 1.87 Allowed 'General case' 0 N--CA 1.408 -2.557 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -86.36 -31.0 21.75 Favored 'General case' 0 C--N 1.269 -2.929 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.915 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 25.4 m 60.37 26.67 16.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.637 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.596 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 7.7 mmpt? -96.88 122.1 57.58 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 122.058 -0.401 . . . . 0.0 112.002 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' HE2' ' B' ' 39' ' ' LYS . 29.3 Cg_endo -65.78 -33.15 44.79 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.987 2.458 . . . . 0.0 110.862 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 9.5 tt -68.29 -44.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.438 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 92.8 mmm -68.27 -37.67 80.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.689 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.4 -34.12 72.17 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.826 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.08 -40.93 67.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.998 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 81.9 mtp180 -59.18 -49.6 77.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.898 0.749 . . . . 0.0 109.941 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.495 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.5 ttm180 -68.52 -46.69 68.9 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.773 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' B' ' 50' ' ' ILE . 41.2 ttm180 -53.43 -51.39 62.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.664 0.786 . . . . 0.0 112.061 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -54.68 -50.24 68.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.45 -37.89 76.39 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.928 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.6 mt -58.54 -51.8 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.49 -40.63 96.04 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 16.4 mm-40 -69.68 -39.61 76.88 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.343 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.8 p -73.52 -37.75 65.53 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 121.914 -0.491 . . . . 0.0 109.867 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.12 -38.33 90.77 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -61.58 -55.12 34.27 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.751 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.58 -32.29 73.8 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.054 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.76 -58.47 7.95 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.619 0.768 . . . . 0.0 109.572 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -53.02 -44.47 67.35 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.205 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 71.7 m -69.52 -50.01 49.15 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.761 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.57 -33.21 68.89 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.665 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mm -66.85 -48.55 79.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.537 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.5 OUTLIER -62.36 -34.39 76.59 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.22 -25.84 52.09 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.86 -29.47 40.07 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -100.96 -29.6 12.11 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.688 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt 58.24 65.66 1.24 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-O 122.72 1.248 . . . . 0.0 112.182 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.585 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 67.2 mttm -82.83 -70.52 0.55 Allowed 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.473 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -174.72 140.38 0.58 Allowed 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -80.12 -21.17 43.5 Favored 'General case' 0 N--CA 1.402 -2.851 0 O-C-N 123.721 0.638 . . . . 0.0 110.755 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 7.8 m -64.63 -49.78 69.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.773 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -20.14 61.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-O 121.332 0.587 . . . . 0.0 110.65 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.476 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.0 t-160 -76.78 -19.75 57.23 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.983 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.8 m -85.48 -10.12 56.52 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.675 0.75 . . . . 0.0 111.954 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -150.22 65.97 0.96 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 75' ' ' LEU . 15.3 tp -107.94 131.4 54.58 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.905 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.405 ' OE2' ' HE2' ' B' ' 74' ' ' LYS . 81.2 mm-40 -83.44 150.5 26.0 Favored 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.165 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.431 ' HG3' HD13 ' B' ' 81' ' ' LEU . 22.8 ttpt -56.73 -36.34 69.62 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 124.108 0.88 . . . . 0.0 112.284 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.68 71.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.421 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.414 ' CG ' HD11 ' B' ' 75' ' ' LEU . 16.0 t70 -78.69 -47.55 16.73 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.441 HG12 HD23 ' B' ' 75' ' ' LEU . 73.6 mt -54.64 -53.47 31.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.385 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -57.94 -51.12 70.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.788 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.3 tt0 -62.55 -37.29 85.55 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.75 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.585 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 42.7 tpp -64.59 -40.47 95.58 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.493 0.663 . . . . 0.0 109.768 -173.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 18.7 m -65.79 -42.4 90.81 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.214 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 81' ' ' LEU . 58.5 t -66.94 -49.31 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.265 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.4 mtmt -60.29 -41.97 94.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' B' ' 65' ' ' LEU . 69.1 t60 -69.12 -27.51 65.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.062 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.66 -35.95 77.91 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 19.9 mmm180 -73.07 -35.71 66.73 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -59.93 -41.73 92.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.87 -44.05 77.99 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.56 -28.15 68.95 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -7.33 59.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.617 . . . . 0.0 110.881 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.61 5.37 24.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.67 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 C--N 1.285 -2.214 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.775 -176.509 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -123.23 99.8 39.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.124 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -91.9 9.87 2.69 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 122.305 2.003 . . . . 0.0 109.801 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -129.03 -178.97 4.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m 64.48 42.75 4.86 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.789 1.28 . . . . 0.0 108.267 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.67 -23.07 4.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.448 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 m -68.05 113.6 5.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 73.9 -12.31 0.87 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.145 1.378 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -79.76 -21.09 44.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -72.29 102.19 3.05 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -148.34 101.69 3.27 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.869 0.843 . . . . 0.0 109.061 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.5 m -93.27 96.51 10.02 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.166 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -149.8 138.17 20.63 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -106.62 135.17 19.55 Favored Pre-proline 0 C--N 1.294 -1.845 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HA ' ' HG2' ' A' ' 43' ' ' GLU . 28.3 Cg_endo -65.1 -35.76 40.67 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 122.53 2.153 . . . . 0.0 110.506 176.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.4 tt -67.93 -43.04 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.37 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.14 -38.96 75.63 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.721 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 40' ' ' PRO . 7.8 pt-20 -66.49 -31.23 71.84 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.641 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -69.44 -44.31 71.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 62.2 mtp180 -66.2 -45.03 82.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.507 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.0 ttm180 -61.42 -45.94 92.22 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.858 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.8 ttp180 -61.46 -38.89 88.88 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 123.533 0.521 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.44 -50.46 73.62 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.72 -39.9 86.19 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 123.386 0.429 . . . . 0.0 109.962 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.0 mt -57.35 -55.67 19.54 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 C-N-CA 123.137 0.575 . . . . 0.0 110.246 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.47 -39.98 94.83 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.649 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 45.0 mt-10 -59.15 -45.55 90.7 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 120.955 0.407 . . . . 0.0 111.037 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 -40.9 66.46 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.51 -37.96 88.31 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.373 0.669 . . . . 0.0 109.949 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 t -63.5 -52.39 61.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.22 -32.43 72.62 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.33 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.94 -56.86 15.56 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.087 0.955 . . . . 0.0 110.606 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -63.72 -31.57 72.79 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.913 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.7 m -65.81 -54.21 29.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.04 -38.62 89.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 29.9 mm -63.2 -51.03 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.2 -32.45 74.04 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.621 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 51.3 m-20 -77.76 -25.85 49.44 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.83 -18.57 37.16 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.837 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 21.2 mt -101.38 -34.86 9.43 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.276 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.621 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.7 mmpt? 60.52 39.07 18.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 124.245 0.965 . . . . 0.0 109.889 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE2' HD13 ' A' ' 65' ' ' LEU . 65.0 mttm -64.45 -74.98 0.09 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.392 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -168.09 143.35 3.68 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 36.2 t -86.86 -17.06 34.25 Favored 'General case' 0 N--CA 1.413 -2.279 0 O-C-N 123.353 0.408 . . . . 0.0 110.747 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 m -70.32 -48.01 58.48 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -75.48 -12.75 60.3 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.17 -178.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 16.7 t-80 -60.99 -37.41 82.37 Favored 'General case' 0 C--O 1.223 -0.326 0 O-C-N 123.525 0.515 . . . . 0.0 109.923 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -82.85 -1.2 51.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.249 0.547 . . . . 0.0 111.664 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.33 13.55 17.83 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 109.318 -179.153 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -81.01 111.62 17.66 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.989 175.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -83.47 164.01 20.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.413 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 ttmt -50.06 -53.07 29.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.91 67.83 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.505 0.669 . . . . 0.0 111.921 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.26 -38.57 35.16 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.574 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 65.8 mt -70.27 -52.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.143 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.2 mp -50.99 -52.92 37.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.957 0.785 . . . . 0.0 111.861 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 33.5 tt0 -67.08 -36.58 82.31 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.106 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 56.2 ttm -63.38 -37.5 87.5 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.36 0.6 . . . . 0.0 109.607 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 m -65.33 -47.96 74.7 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.336 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 46.1 t -63.04 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.3 mtmt -63.8 -34.11 77.17 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.603 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.451 ' ND1' HD21 ' A' ' 65' ' ' LEU . 42.0 t60 -73.26 -27.2 61.44 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.983 -0.448 . . . . 0.0 110.538 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.42 -36.17 76.44 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 15.1 mmm-85 -66.66 -44.87 80.71 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.029 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' HA ' ' HE ' ' A' ' 93' ' ' ARG . 96.4 m-20 -55.99 -49.39 73.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.052 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.96 -43.75 98.19 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 123.865 0.728 . . . . 0.0 110.584 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -59.8 -30.13 68.7 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.5 ppt_? -106.31 5.51 29.73 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.757 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.67 -10.95 59.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.841 0.829 . . . . 0.0 109.213 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 N--CA 1.421 -1.907 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.723 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 CA--C 1.495 -1.148 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 63.77 85.42 0.16 Allowed Pre-proline 0 C--O 1.241 0.631 0 O-C-N 123.948 0.78 . . . . 0.0 110.464 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.63 152.84 70.07 Favored 'Trans proline' 0 C--O 1.251 1.148 0 C-N-CA 122.985 2.457 . . . . 0.0 111.946 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 69.2 10.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.781 0.801 . . . . 0.0 111.67 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.4 m -156.32 88.43 1.08 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -177.09 -48.28 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.943 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 6.2 m -79.89 97.92 6.91 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.217 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.88 141.23 36.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -69.53 -54.59 13.4 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 120.907 0.385 . . . . 0.0 110.565 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -89.3 84.05 6.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -161.61 136.17 7.08 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -115.41 112.75 22.79 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.558 0.694 . . . . 0.0 111.615 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -164.86 173.46 11.68 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -90.24 123.1 66.61 Favored Pre-proline 0 C--N 1.282 -2.364 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.62 -38.32 90.85 Favored 'Trans proline' 0 C--O 1.23 0.11 0 C-N-CA 123.286 2.657 . . . . 0.0 112.245 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tt -74.83 -43.69 46.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.359 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 96.1 mmm -66.2 -42.47 88.75 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -70.11 -28.15 65.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.121 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -67.15 -46.33 74.37 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 79.5 mtp180 -61.74 -50.19 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.549 178.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' B' ' 50' ' ' ILE . 31.8 ttm180 -56.51 -53.35 58.53 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.42 ' HA ' HD12 ' B' ' 50' ' ' ILE . 31.4 ttp180 -50.91 -46.34 60.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.936 0.895 . . . . 0.0 111.331 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -58.77 -54.07 51.29 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.221 0.608 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 12.1 mpt_? -59.7 -33.31 71.43 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.591 0.557 . . . . 0.0 112.081 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.5 mt -59.64 -51.16 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.044 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -66.15 -40.61 90.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.802 0.334 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 41.5 mt-10 -60.81 -43.42 98.21 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.679 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 21.8 p -76.95 -32.55 57.38 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.094 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.24 -38.65 68.88 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.564 0.697 . . . . 0.0 109.287 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 p -66.55 -45.29 79.85 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.622 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.1 -34.31 74.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.039 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.64 -58.19 8.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.359 1.064 . . . . 0.0 111.066 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 56.6 pttt -61.6 -34.9 76.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.2 m -63.55 -53.83 45.71 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.421 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.81 -31.83 73.24 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.4 HD11 HG23 ' B' ' 84' ' ' THR . 37.1 mm -68.88 -50.92 49.95 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 CA-C-O 121.435 0.636 . . . . 0.0 110.671 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -33.06 74.47 Favored 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.66 -27.95 51.1 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.978 0.511 . . . . 0.0 111.875 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -36.35 58.53 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.784 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.0 mp -101.98 -30.08 11.42 Favored 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 118.576 -1.249 . . . . 0.0 111.802 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt 58.22 62.95 1.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.95 0.881 . . . . 0.0 111.796 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.626 ' HE2' ' SD ' ' B' ' 83' ' ' MET . 35.3 mttp -66.86 -79.12 0.05 Allowed 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 113.563 -1.653 . . . . 0.0 111.408 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 13.2 t70 -174.84 146.25 0.91 Allowed 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -88.08 -16.05 34.58 Favored 'General case' 0 N--CA 1.409 -2.491 0 C-N-CA 119.544 -0.862 . . . . 0.0 112.331 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 32.7 t -71.78 -44.55 63.81 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 9.2 ptp180 -65.3 -36.88 85.42 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.513 ' HA ' HD12 ' B' ' 75' ' ' LEU . 25.5 t60 -57.99 -28.64 64.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.069 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -83.2 -2.93 56.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.764 0.792 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.507 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -120.54 11.78 11.4 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.614 1.197 . . . . 0.0 108.352 178.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' B' ' 72' ' ' HIS . 33.7 mt -84.87 115.21 22.64 Favored 'General case' 0 N--CA 1.408 -2.561 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.655 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 89.6 mt-10 -92.11 166.52 12.61 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.893 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.501 ' HD2' HD13 ' A' ' 50' ' ' ILE . 32.5 ttmt -49.49 -49.88 43.86 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.533 0.733 . . . . 0.0 112.94 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.83 70.02 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.182 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 6.7 m-20 -78.62 -47.37 17.24 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.948 0.88 . . . . 0.0 108.788 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 86.6 mt -57.44 -49.47 80.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.859 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.4 mp -51.31 -52.82 41.86 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.414 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.684 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 33.0 tt0 -67.92 -33.26 74.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.888 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.626 ' SD ' ' HE2' ' B' ' 67' ' ' LYS . 50.5 tpp -63.4 -36.9 85.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.779 0.799 . . . . 0.0 109.229 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.4 HG23 HD11 ' B' ' 61' ' ' ILE . 19.3 m -65.62 -47.39 75.79 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.031 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 81' ' ' LEU . 39.6 t -64.76 -40.51 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.341 0.591 . . . . 0.0 110.528 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.6 mtmt -67.2 -35.25 79.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.057 0.456 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.586 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.9 t-160 -72.29 -27.96 62.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.89 97.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -61.06 -44.58 97.17 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.449 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 92.2 m-20 -56.08 -45.99 79.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.75 -43.34 72.44 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.693 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.52 -12.1 40.99 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -101.2 -10.21 20.59 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.646 0.736 . . . . 0.0 110.395 -176.308 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.33 -0.94 40.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.435 -1.182 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.725 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 CA--C 1.495 -1.163 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -130.31 98.49 20.67 Favored Pre-proline 0 N--CA 1.435 -1.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.45 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.97 147.57 11.88 Favored 'Trans proline' 0 N--CA 1.442 -1.539 0 C-N-CA 122.232 1.954 . . . . 0.0 111.658 175.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -132.72 -51.35 0.91 Allowed 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.127 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -113.99 39.34 2.74 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.532 1.158 . . . . 0.0 108.626 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.93 89.98 7.24 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-O 121.785 0.802 . . . . 0.0 109.123 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 p -75.13 -15.92 60.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.066 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 70.16 -65.93 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.264 1.426 . . . . 0.0 113.317 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -70.36 -37.84 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -92.24 136.55 33.1 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.603 ' N ' ' HD3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -158.62 -163.31 1.24 Allowed 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -173.015 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.5 m 71.87 -32.84 0.25 Allowed 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -86.26 26.1 1.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 123.332 0.653 . . . . 0.0 111.234 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -79.58 130.95 66.2 Favored Pre-proline 0 N--CA 1.4 -2.955 0 C-N-CA 124.049 0.939 . . . . 0.0 113.181 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -61.7 -39.66 51.71 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.179 2.586 . . . . 0.0 110.328 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 tt -67.25 -39.21 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.551 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.91 -38.34 61.86 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.171 -175.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.64 -32.43 67.93 Favored 'General case' 0 C--O 1.209 -1.031 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.708 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.33 -44.26 88.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.105 0.479 . . . . 0.0 110.644 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.23 -37.01 85.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.505 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.9 ttm180 -66.07 -46.51 77.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.815 175.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 50' ' ' ILE . 32.8 ttp180 -61.44 -39.67 91.69 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 124.473 1.109 . . . . 0.0 111.712 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.89 -47.19 83.53 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -60.6 -42.82 97.55 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.858 0.723 . . . . 0.0 110.965 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' ARG . 93.3 mt -54.46 -52.6 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 123.199 0.6 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.49 -45.19 84.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.991 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 13.3 mm-40 -63.91 -35.22 79.93 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.385 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -75.18 -48.47 23.41 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.8 tt -62.28 -36.44 82.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.737 0.779 . . . . 0.0 110.241 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -68.59 -42.52 78.08 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.062 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.67 -30.89 63.18 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.237 -0.914 . . . . 0.0 109.708 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.5 tm? -51.35 -59.37 4.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.26 1.824 . . . . 0.0 109.278 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.892 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -66.04 -54.44 25.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.758 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.88 -32.69 72.53 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.547 HG23 ' ND1' ' A' ' 87' ' ' HIS . 11.7 mm -62.41 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.011 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 ' ND1' ' A' ' 72' ' ' HIS . 7.5 tp -71.21 -31.84 68.1 Favored 'General case' 0 C--O 1.183 -2.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.382 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 -27.28 61.18 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.297 0.57 . . . . 0.0 111.593 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.94 59.12 Favored 'General case' 0 N--CA 1.423 -1.817 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.97 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' ND1' ' A' ' 87' ' ' HIS . 7.3 mp -104.64 -30.63 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt 56.38 58.93 3.9 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.048 0.939 . . . . 0.0 113.094 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.57 -72.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.566 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -162.22 144.87 11.37 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 124.182 0.993 . . . . 0.0 109.545 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 t -78.45 -32.73 48.63 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -60.31 -47.23 86.92 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.151 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.64 -16.55 59.52 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.322 -177.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.454 ' ND1' HD22 ' A' ' 62' ' ' LEU . 47.7 t60 -71.97 -30.93 65.78 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -91.59 10.5 27.78 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.403 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -131.02 24.68 4.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.01 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 38.7 mt -82.38 115.68 21.53 Favored 'General case' 0 N--CA 1.415 -2.19 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.979 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.12 151.2 31.5 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 ttmp? -54.52 -41.7 69.97 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.313 0.578 . . . . 0.0 111.466 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -26.28 65.96 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.9 -46.71 34.16 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.5 mt -58.79 -51.37 72.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.6 mp -55.61 -53.03 61.53 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.9 tt0 -62.99 -33.81 76.21 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.634 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.23 -39.86 82.2 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.519 HG21 HD21 ' A' ' 57' ' ' LEU . 12.5 m -67.64 -45.69 74.59 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.676 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 61.9 t -64.4 -41.46 92.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.588 0.709 . . . . 0.0 110.57 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.74 -39.26 87.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.211 0.529 . . . . 0.0 111.013 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 61' ' ' ILE . 34.7 m170 -67.17 -26.92 66.88 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.747 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.9 tp -58.36 -48.26 81.15 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 5.5 mpt_? -57.53 -48.71 78.55 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.865 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 93' ' ' ARG . 84.4 m-20 -54.87 -51.24 66.58 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.12 -17.22 59.69 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -74.92 -38.33 61.83 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.293 0.568 . . . . 0.0 109.875 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.6 ppt_? -100.79 17.36 22.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.055 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.54 -10.29 59.74 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.508 0.67 . . . . 0.0 109.907 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.414 -2.271 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.125 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -119.41 102.27 48.22 Favored Pre-proline 0 N--CA 1.436 -1.13 0 CA-C-O 121.301 0.572 . . . . 0.0 110.851 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -68.99 125.04 12.04 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 121.827 1.685 . . . . 0.0 108.691 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.46 ' H ' ' HD3' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -69.49 -43.76 72.51 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.521 -179.283 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.9 m 54.65 31.74 15.82 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-O 122.367 1.079 . . . . 0.0 110.837 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.7 87.83 2.7 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.684 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -151.56 120.47 6.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' B' ' 36' ' ' LYS . 8.9 pt-20 -123.92 110.38 14.75 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.014 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -97.15 -34.92 10.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.698 0.761 . . . . 0.0 109.189 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -133.8 97.36 3.88 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -99.39 -1.54 38.45 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.693 1.235 . . . . 0.0 110.309 -179.464 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -80.52 6.18 13.17 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 113.285 -1.779 . . . . 0.0 109.826 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -67.95 -21.53 65.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.128 0.966 . . . . 0.0 108.432 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.526 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 7.4 mmpt? -99.23 125.47 41.33 Favored Pre-proline 0 N--CA 1.428 -1.57 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.357 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.69 -34.18 51.96 Favored 'Trans proline' 0 C--N 1.332 -0.3 0 C-N-CA 122.987 2.458 . . . . 0.0 110.707 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tt -67.0 -42.44 88.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.538 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 25.5 mmt -68.49 -39.45 81.32 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 12.3 pt-20 -70.34 -31.88 69.36 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.27 -40.56 70.85 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.547 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -60.03 -41.63 92.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.832 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.606 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.2 ttm180 -61.32 -57.76 11.0 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.588 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' B' ' 43' ' ' GLU 0.364 15.2 ptt180 -66.31 -32.59 74.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -176.481 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -60.48 -46.42 90.17 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -31.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.606 HG13 ' O ' ' B' ' 46' ' ' ARG . 87.3 mt -58.87 -54.78 29.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -60.52 -47.79 84.62 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.083 0.153 . . . . 0.0 110.988 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 14.5 mm-40 -60.38 -40.8 92.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.912 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -76.35 -40.36 51.46 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.654 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -61.41 -39.25 90.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.952 0.901 . . . . 0.0 108.863 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -63.82 -45.78 88.08 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.841 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.27 -28.69 59.9 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.708 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' B' ' 84' ' ' THR . 2.0 tm? -54.69 -59.0 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 126.128 1.771 . . . . 0.0 107.353 174.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.41 -47.62 78.63 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.232 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -59.77 -59.87 4.74 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.585 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.63 -30.51 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 33.0 mm -66.04 -52.81 44.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.113 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.73 -22.35 62.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 12.9 t70 -78.87 -26.32 43.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.402 0.62 . . . . 0.0 111.04 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 -31.71 25.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 20.3 mt -96.09 -38.14 10.31 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 39.9 mtmt 48.44 68.89 0.62 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 112.834 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -75.45 -60.69 2.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.12 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.99 145.96 1.92 Allowed 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.2 m -87.6 -15.67 36.69 Favored 'General case' 0 C--N 1.277 -2.564 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.273 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -45.38 62.38 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -6.83 59.35 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.64 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.28 -36.12 68.25 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 36.9 m -84.1 10.58 9.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.121 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.617 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -138.81 76.58 1.58 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.702 1.239 . . . . 0.0 109.864 175.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.2 mm? -128.16 126.21 40.62 Favored 'General case' 0 N--CA 1.405 -2.707 0 CA-C-N 113.208 -1.814 . . . . 0.0 108.506 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -93.0 152.32 19.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.458 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.0 ttmt -48.05 -48.15 33.34 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.54 71.07 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.638 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.21 -39.15 33.98 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.732 -175.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 57' ' ' LEU . 63.9 mt -64.09 -49.48 81.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.341 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.37 -48.94 68.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.836 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -64.89 -39.88 94.23 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.626 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 45.3 ttm -66.33 -31.65 72.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.57 . . . . 0.0 109.571 -174.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 7.2 m -70.1 -48.48 57.47 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.841 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 46.7 t -63.41 -39.23 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.645 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.2 mtmt -68.91 -36.66 78.29 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 121.677 -0.64 . . . . 0.0 110.955 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.488 ' CD2' HD21 ' B' ' 65' ' ' LEU . 21.1 t-160 -69.5 -27.82 65.52 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.632 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.8 tp -59.82 -45.89 90.95 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.321 175.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 5.3 mpt_? -58.64 -48.42 81.09 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -54.81 -50.31 68.86 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 123.871 0.732 . . . . 0.0 111.999 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.18 -43.33 87.2 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.072 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -64.04 -14.32 53.45 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 8.3 ppt_? -113.42 7.75 17.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.178 0.513 . . . . 0.0 111.146 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.43 -11.06 38.77 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.829 0.823 . . . . 0.0 108.997 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.421 -1.878 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.9 -174.304 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -107.0 142.42 24.98 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.51 29.97 0.4 Allowed 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 123.679 2.92 . . . . 0.0 114.358 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt 69.75 144.93 0.05 Allowed 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.219 1.008 . . . . 0.0 111.807 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m 70.69 -37.22 0.38 Allowed 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 125.032 1.333 . . . . 0.0 112.505 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 69.04 10.97 8.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.313 1.445 . . . . 0.0 111.92 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.7 m -144.17 128.41 17.75 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.587 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -98.56 14.44 28.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 123.181 1.467 . . . . 0.0 109.205 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -120.97 -176.53 3.28 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 175.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -71.03 -29.41 65.33 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.121 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -164.03 136.83 5.11 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -166.56 173.08 10.11 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -109.93 -48.46 3.2 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HE3' ' H ' ' A' ' 39' ' ' LYS 0.26 0.0 OUTLIER -105.82 121.62 45.23 Favored Pre-proline 0 N--CA 1.385 -3.703 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.266 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 39' ' ' LYS . 71.1 Cg_endo -85.04 -36.1 0.14 Allowed 'Trans proline' 1 C--N 1.224 -5.996 0 C-N-CA 123.61 2.873 . . . . 0.0 111.395 175.262 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tt -84.48 -40.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.743 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.8 mmm -67.94 -37.66 81.9 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.979 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 39' ' ' LYS . 8.9 pt-20 -76.72 -27.69 55.53 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.285 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? -69.31 -37.47 77.77 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -66.71 -44.38 81.82 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.002 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 50' ' ' ILE . 49.6 ttp180 -55.66 -51.03 68.62 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.4 ttt180 -53.26 -40.0 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.826 1.251 . . . . 0.0 112.123 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.41 -53.32 58.12 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 123.586 0.554 . . . . 0.0 110.429 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -67.27 -25.49 66.09 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.685 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 47' ' ' ARG . 82.0 mt -60.37 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -61.9 -42.96 99.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.618 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 52.8 mt-10 -56.85 -39.48 74.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.812 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -77.02 -40.11 47.7 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.108 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -63.21 -40.43 97.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.302 0.641 . . . . 0.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.24 -51.37 66.51 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.434 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.41 ' HG3' HG11 ' B' ' 85' ' ' VAL . 12.1 pt20 -68.26 -31.04 70.23 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.504 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 6.8 tt -53.32 -58.24 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.428 1.091 . . . . 0.0 109.229 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 26.6 ttpp -55.55 -47.12 76.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.597 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.2 m -61.14 -47.48 86.02 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.396 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.77 -37.85 58.87 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 34.5 mm -61.97 -44.96 99.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.147 0.499 . . . . 0.0 109.852 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.607 HD21 ' CG ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -61.47 -36.68 81.1 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.355 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 10.9 t70 -76.18 -25.0 54.78 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.977 0.418 . . . . 0.0 112.069 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.12 -26.15 31.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.428 0.632 . . . . 0.0 110.105 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD21 ' CD2' ' A' ' 87' ' ' HIS . 18.1 mt -105.12 -39.85 6.07 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.663 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.588 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 41.0 mtmt 44.19 58.82 3.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 124.502 1.121 . . . . 0.0 111.274 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HD2' ' NE2' ' A' ' 72' ' ' HIS . 93.5 mttt -67.54 -66.32 0.58 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.938 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.596 ' HB3' ' HG2' ' A' ' 71' ' ' ARG . 34.3 t0 -169.85 138.23 1.77 Allowed 'General case' 0 CA--C 1.472 -2.026 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.3 m -78.12 -21.86 49.73 Favored 'General case' 0 C--N 1.262 -3.208 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.945 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -66.15 -54.95 19.19 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.679 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -66.58 -36.58 82.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.287 0.565 . . . . 0.0 110.947 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.607 ' CG ' HD21 ' A' ' 62' ' ' LEU . 80.5 m-70 -77.6 8.58 4.19 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.2 m -105.24 9.02 34.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.867 0.841 . . . . 0.0 109.147 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -135.73 24.69 3.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.685 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.599 HD22 ' HD1' ' A' ' 72' ' ' HIS . 1.3 tp -85.22 118.53 24.83 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-O 121.741 0.781 . . . . 0.0 111.225 -175.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -76.17 157.93 32.23 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.211 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HD2' HD13 ' B' ' 50' ' ' ILE . 34.1 ttmt -51.92 -46.45 64.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.412 0.625 . . . . 0.0 110.861 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -31.59 67.43 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.18 -42.29 26.43 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.681 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.453 HG12 HD23 ' A' ' 75' ' ' LEU . 70.4 mt -63.47 -47.64 90.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.495 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.1 mp -57.27 -53.04 62.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.634 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 13.9 tt0 -56.19 -40.12 73.47 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.433 ' HB3' ' HE2' ' A' ' 83' ' ' MET . 44.2 ttp -68.05 -34.43 76.44 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.187 0.518 . . . . 0.0 109.763 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.443 HG23 HD11 ' A' ' 61' ' ' ILE . 26.3 m -69.55 -45.09 69.56 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.093 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 81' ' ' LEU . 38.5 t -67.77 -41.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.682 0.753 . . . . 0.0 110.358 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.604 ' HG2' HH21 ' A' ' 89' ' ' ARG . 62.1 mttt -72.21 -30.12 64.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.555 ' CD2' HD21 ' A' ' 65' ' ' LEU . 12.1 t-160 -69.91 -28.42 65.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.2 tt -59.07 -50.57 73.58 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.604 HH21 ' HG2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.09 -35.05 78.96 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.029 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 89.4 m-20 -63.49 -42.85 98.54 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.188 0.518 . . . . 0.0 110.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' B' ' 91' ' ' LEU . 86.9 mt -69.66 -43.22 73.0 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.934 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -66.28 -25.32 66.81 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.67 -2.89 58.83 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.266 0.555 . . . . 0.0 110.688 -178.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.67 38.72 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.758 0.79 . . . . 0.0 110.008 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 C--N 1.303 -1.416 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.158 -174.167 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 CA--C 1.505 -0.771 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -144.17 81.78 11.28 Favored Pre-proline 0 N--CA 1.445 -0.677 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.68 132.2 24.58 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 123.007 2.471 . . . . 0.0 113.313 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.84 29.02 11.21 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.446 1.098 . . . . 0.0 112.428 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m 67.78 -74.09 0.08 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.777 0.831 . . . . 0.0 110.979 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 61.92 124.99 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.957 1.303 . . . . 0.0 111.946 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -107.67 79.13 1.25 Allowed 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.462 -0.774 . . . . 0.0 110.493 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -83.72 -30.47 26.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -79.74 82.6 5.82 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.832 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.39 162.07 10.14 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' B' ' 36' ' ' LYS . 39.8 tptt -118.51 104.63 10.86 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 117.782 -1.567 . . . . 0.0 111.341 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.47 149.85 25.98 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.429 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -77.31 -55.58 5.28 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 121.334 0.588 . . . . 0.0 112.282 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -104.51 118.76 55.82 Favored Pre-proline 0 C--N 1.277 -2.567 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -59.04 -37.32 93.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.167 2.578 . . . . 0.0 110.609 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.2 tt -66.52 -43.24 90.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 92.1 mmm -73.4 -36.45 66.03 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.498 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.8 -33.53 72.49 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -71.65 -42.71 67.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.464 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -58.41 -53.63 56.09 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.436 1.085 . . . . 0.0 109.836 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 50' ' ' ILE . 36.1 ttm180 -57.64 -56.17 25.31 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.665 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -53.61 -49.39 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.887 0.875 . . . . 0.0 111.709 -176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.77 -50.8 72.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.301 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -62.53 -33.12 74.27 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 77' ' ' LYS . 95.1 mt -61.52 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -65.85 -39.92 91.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.829 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.4 mm-40 -63.81 -41.22 97.93 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.669 0.606 . . . . 0.0 112.301 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 14.5 p -75.82 -38.49 58.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.333 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.86 -35.28 80.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -64.33 -52.03 60.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.221 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.449 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.6 pt20 -67.82 -31.77 71.86 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.328 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.13 -58.12 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.062 0.945 . . . . 0.0 109.311 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -50.88 -41.89 58.63 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 125.604 1.562 . . . . 0.0 110.893 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 m -67.44 -56.21 10.53 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.517 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -38.09 81.89 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 29.3 mm -67.16 -50.03 67.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -30.38 69.39 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 119.064 -1.054 . . . . 0.0 108.868 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.621 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 65.3 m-20 -79.67 -24.95 41.45 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.29 27.26 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.649 -0.82 . . . . 0.0 112.296 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.421 HD12 ' N ' ' B' ' 65' ' ' LEU . 4.9 mp -97.27 -24.22 15.78 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.26 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.621 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 10.3 mmpt? 58.0 62.12 2.15 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.5 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.66 -78.25 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.839 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 71' ' ' ARG . 7.4 t0 176.94 150.74 0.16 Allowed 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 m -86.33 -18.57 31.59 Favored 'General case' 0 C--N 1.276 -2.596 0 O-C-N 123.469 0.481 . . . . 0.0 111.5 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -66.67 -52.24 47.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.709 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.459 ' HG2' ' HB3' ' B' ' 68' ' ' ASP . 0.2 OUTLIER -65.56 -32.82 74.62 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 121.337 0.589 . . . . 0.0 110.366 178.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.0 -15.45 61.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.783 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -66.22 -17.71 64.9 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.765 0.793 . . . . 0.0 111.224 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.521 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -142.62 73.6 1.41 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.595 174.315 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' B' ' 79' ' ' ASP . 4.2 tp -115.87 126.73 54.33 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -78.44 159.99 27.97 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 77' ' ' LYS . 30.8 ttmt -54.47 -39.74 67.76 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.586 0.708 . . . . 0.0 110.799 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.78 71.85 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.496 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.441 ' HB2' ' HG ' ' B' ' 75' ' ' LEU . 64.8 m-20 -79.09 -44.05 22.88 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.801 0.81 . . . . 0.0 109.017 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -49.06 83.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.3 mp -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.828 0.346 . . . . 0.0 110.899 176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.7 tt0 -59.86 -38.65 82.73 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.225 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 33.8 tpp -70.59 -27.34 64.03 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.338 0.59 . . . . 0.0 109.914 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.516 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 21.6 m -70.78 -44.02 67.52 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.505 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 39.1 t -70.56 -39.22 75.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.314 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.3 mttt -69.45 -35.85 76.06 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 122.091 -0.381 . . . . 0.0 111.182 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -65.4 -31.87 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.9 tp -58.29 -47.35 83.92 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.993 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -59.54 -42.29 91.98 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.193 0.308 . . . . 0.0 110.817 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -59.83 -48.78 80.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.413 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 91' ' ' LEU . 93.8 mt -72.4 -25.91 61.67 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.131 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -73.34 -31.38 63.94 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 120.857 0.361 . . . . 0.0 111.424 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.86 8.1 45.12 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.15 -31.15 72.24 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.696 0.76 . . . . 0.0 109.448 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.407 -2.612 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.418 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -129.55 93.82 34.15 Favored Pre-proline 0 C--N 1.308 -1.205 0 C-N-CA 124.193 0.997 . . . . 0.0 108.524 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.12 117.01 4.17 Favored 'Trans proline' 0 C--O 1.242 0.716 0 C-N-CA 123.071 2.514 . . . . 0.0 112.356 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 12.85 29.03 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.689 0.756 . . . . 0.0 109.644 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -75.44 14.14 0.65 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 125.533 1.533 . . . . 0.0 113.042 -177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.58 41.32 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t 63.16 -172.57 0.16 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.254 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.03 99.34 12.18 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -64.99 -52.43 56.19 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.462 0.649 . . . . 0.0 110.018 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -118.58 115.48 24.64 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.166 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -97.9 80.82 2.78 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.188 0.994 . . . . 0.0 108.442 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 p -103.09 75.08 1.34 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.4 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -147.89 -174.01 4.45 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.7 mmpt? -104.32 117.82 58.32 Favored Pre-proline 0 N--CA 1.421 -1.893 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.696 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.22 -31.9 52.79 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.366 2.71 . . . . 0.0 110.753 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 -42.52 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.58 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.1 -42.31 94.13 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.25 -24.53 60.47 Favored 'General case' 0 C--O 1.214 -0.81 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.645 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -71.9 -44.96 62.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.26 -45.77 92.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.573 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 50' ' ' ILE . 37.2 ttm180 -57.27 -49.79 74.95 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.734 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 50' ' ' ILE . 51.0 ttt180 -55.31 -46.98 76.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.994 0.918 . . . . 0.0 111.194 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.54 85.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' HB3' ' HB1' ' B' ' 78' ' ' ALA . 0.5 OUTLIER -59.48 -38.71 81.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 122.883 0.473 . . . . 0.0 111.64 178.734 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.8 mt -60.03 -52.85 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.544 0.738 . . . . 0.0 109.732 176.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.6 -43.32 99.12 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.606 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.85 -43.23 99.36 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.713 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -73.56 -36.33 65.6 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.542 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 1.9 tt -68.72 -37.16 79.27 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -66.85 -52.44 43.59 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -62.59 -32.02 72.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.965 0.412 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 7.9 tt -57.69 -58.54 7.88 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 123.992 0.917 . . . . 0.0 110.354 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.5 -28.39 69.63 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 178.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -68.91 -53.0 23.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.172 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.28 -38.43 75.06 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 84' ' ' THR . 28.7 mm -59.57 -52.61 58.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 121.368 0.604 . . . . 0.0 111.413 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -33.03 75.01 Favored 'General case' 0 C--O 1.204 -1.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.34 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 15.5 t70 -77.38 -31.42 54.24 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.351 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.82 64.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 87' ' ' HIS . 4.6 mp -109.39 -21.41 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.55 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER 56.11 41.49 29.47 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 124.945 1.298 . . . . 0.0 109.845 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 68.1 mttm -49.67 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.642 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 14.1 t70 -172.0 140.05 1.18 Allowed 'General case' 0 CA--C 1.479 -1.777 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 m -87.86 -16.47 33.91 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 58.0 m -70.06 -40.16 75.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.108 -0.37 . . . . 0.0 110.173 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 10.4 ptp180 -72.16 -39.03 69.01 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 55.9 t60 -50.77 -39.66 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 111.811 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 p -91.12 18.2 7.15 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.409 0.623 . . . . 0.0 111.87 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -142.38 19.83 2.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.379 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 21.0 mt -76.44 123.18 25.61 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.327 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.24 150.6 23.8 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.7 ttmt -47.47 -45.63 26.26 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.29 74.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.01 -40.49 53.47 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.914 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.3 mt -62.34 -47.52 92.67 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.211 -1.358 . . . . 0.0 110.642 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 70.0 mt -59.62 -51.89 67.86 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.059 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 15.8 tt0 -58.63 -38.87 78.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.458 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.409 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 36.3 tpp -63.45 -35.47 80.55 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.979 0.895 . . . . 0.0 108.842 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 61' ' ' ILE . 18.4 m -75.48 -43.7 47.9 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.887 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.7 t -64.0 -46.2 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 109.913 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 37.8 mttm -63.37 -32.96 74.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.341 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' HD11 ' A' ' 65' ' ' LEU . 11.6 t-160 -72.39 -29.64 63.94 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.213 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.1 pp -72.73 -29.03 63.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 7.4 mmm-85 -64.78 -45.47 86.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.68 -50.76 72.59 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' B' ' 91' ' ' LEU . 40.0 mt -61.55 -41.99 98.17 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.857 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.37 -27.78 69.31 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -4.13 26.28 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.57 62.42 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.457 0.646 . . . . 0.0 111.386 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.698 0 C-N-CA 124.494 1.117 . . . . 0.0 110.134 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.374 0.13 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -136.35 92.82 15.19 Favored Pre-proline 0 C--N 1.312 -1.031 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -81.79 -72.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.702 2.268 . . . . 0.0 113.418 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.459 ' HG2' ' H ' ' B' ' 31' ' ' ALA . 25.0 ttmm -167.96 159.37 11.3 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.8 m -77.92 -19.66 54.28 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.879 0.371 . . . . 0.0 110.781 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.459 ' H ' ' HG2' ' B' ' 29' ' ' LYS . . . 74.31 -44.63 0.57 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.482 1.513 . . . . 0.0 111.379 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 27.2 p -86.3 87.65 7.47 Favored 'General case' 0 N--CA 1.414 -2.236 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -91.96 103.15 15.7 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.728 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 69.52 -63.18 0.39 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.947 1.699 . . . . 0.0 112.532 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -126.52 116.47 21.14 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 120.911 0.386 . . . . 0.0 111.462 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -171.6 138.8 1.16 Allowed 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 76.1 p -83.14 150.75 26.07 Favored 'General case' 0 N--CA 1.411 -2.411 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.3 m -106.71 20.38 19.09 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.88 0.848 . . . . 0.0 108.781 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.619 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 9.1 mmpt? -87.23 124.96 67.48 Favored Pre-proline 0 N--CA 1.421 -1.92 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.14 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.37 -33.47 69.94 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.773 2.315 . . . . 0.0 110.555 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.57 -44.71 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.407 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 26.2 mmt -67.27 -41.67 85.11 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.39 -23.56 60.19 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.843 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -70.92 -43.33 68.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -59.77 -46.27 89.68 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.163 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.633 ' O ' HG13 ' B' ' 50' ' ' ILE . 21.9 ttm180 -57.03 -56.26 24.1 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 124.107 0.879 . . . . 0.0 109.427 174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' B' ' 50' ' ' ILE . 46.4 ttp180 -54.98 -46.78 75.13 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -60.46 -46.47 89.93 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.97 -26.96 64.34 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.208 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.4 mt -59.88 -50.89 78.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.18 -44.38 95.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.929 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 47.9 mt-10 -55.55 -47.74 75.87 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.236 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -74.76 -44.15 51.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.283 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.83 -41.1 99.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.765 0.426 . . . . 0.0 110.135 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -61.34 -53.64 54.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.183 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -30.61 69.53 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.183 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.54 -58.04 9.75 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.79 -42.2 75.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.063 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -62.52 -57.58 10.68 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.178 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.83 -34.08 77.34 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.957 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.459 HD11 HD22 ' A' ' 88' ' ' LEU . 26.7 mm -64.71 -47.56 88.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.552 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.406 ' O ' HD13 ' B' ' 62' ' ' LEU . 1.0 OUTLIER -66.79 -26.97 67.21 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.548 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.469 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 29.3 t70 -82.71 -31.18 28.64 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.379 0.609 . . . . 0.0 112.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.1 41.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.218 0.532 . . . . 0.0 110.508 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.5 mp -97.3 -38.14 9.78 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.726 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 30.8 mtmt 54.79 69.34 0.74 Allowed 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.986 0.898 . . . . 0.0 111.864 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -75.81 -73.09 0.28 Allowed 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.511 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.4 149.49 7.09 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -87.04 -15.46 38.55 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.721 0.638 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -77.05 -43.11 35.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.481 0.658 . . . . 0.0 109.319 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -10.92 60.05 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.825 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.68 ' HA ' HD23 ' B' ' 75' ' ' LEU . 76.9 t60 -65.87 -30.27 70.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.01 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -79.36 -4.32 50.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.651 0.739 . . . . 0.0 111.505 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -121.59 27.26 8.32 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.532 1.158 . . . . 0.0 108.484 -176.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -79.74 119.17 22.29 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.976 174.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.96 151.62 19.42 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.499 ' HD2' HD13 ' A' ' 50' ' ' ILE . 33.8 ttmt -52.01 -45.7 64.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 118.75 0.705 . . . . 0.0 110.931 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -61.91 -30.5 70.93 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.639 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -79.79 -42.14 25.04 Favored 'General case' 0 C--O 1.198 -1.652 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 77' ' ' LYS . 75.3 mt -58.74 -53.26 49.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.516 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.522 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.9 mp -55.91 -52.54 63.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.497 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 22.1 tt0 -61.02 -37.35 82.25 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.555 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.16 -32.63 74.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.588 0.708 . . . . 0.0 109.209 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.402 ' OG1' HG13 ' B' ' 61' ' ' ILE . 24.6 m -74.99 -43.72 52.3 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.993 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 81' ' ' LEU . 59.5 t -66.66 -41.76 88.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 79.3 mttt -65.39 -32.05 73.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.507 ' CE1' HD11 ' B' ' 91' ' ' LEU . 11.8 t-80 -66.21 -34.52 78.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.079 174.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -61.27 -43.99 97.97 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' B' ' 86' ' ' LYS . 14.7 mmm-85 -64.39 -43.98 92.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.064 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 80.1 m-20 -58.37 -50.32 74.1 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' B' ' 87' ' ' HIS . 94.7 mt -63.9 -42.77 97.37 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.967 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -69.66 -12.21 61.45 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -105.22 1.31 28.07 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.442 0.639 . . . . 0.0 110.996 -178.656 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.64 11.91 25.02 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.45 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.25 1.108 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -178.248 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 CA--C 1.504 -0.806 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -97.22 125.98 43.67 Favored Pre-proline 0 C--N 1.311 -1.102 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.95 -64.69 0.22 Allowed 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 124.461 3.441 . . . . 0.0 114.743 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -117.01 137.97 51.88 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' B' ' 28' ' ' PRO . 62.9 m -123.13 83.14 2.08 Favored 'General case' 0 N--CA 1.411 -2.407 0 CA-C-O 121.573 0.701 . . . . 0.0 110.507 176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.63 118.03 21.09 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 m -51.55 114.74 1.33 Allowed 'General case' 0 C--N 1.311 -1.101 0 O-C-N 124.305 1.003 . . . . 0.0 111.01 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -74.18 95.66 2.63 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-O 121.913 0.863 . . . . 0.0 109.794 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -85.64 -30.26 23.38 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.506 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 62.57 -68.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.351 1.46 . . . . 0.0 113.54 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -115.51 113.41 23.62 Favored 'General case' 0 N--CA 1.421 -1.912 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.2 m -141.15 -33.98 0.51 Allowed 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.31 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 p -141.76 163.38 33.06 Favored 'General case' 0 N--CA 1.405 -2.709 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HE2' ' HD2' ' A' ' 40' ' ' PRO . 7.4 mmpt? -78.94 136.53 58.05 Favored Pre-proline 0 C--N 1.284 -2.242 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.505 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.488 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 27.9 Cg_endo -62.76 -34.58 72.56 Favored 'Trans proline' 0 CA--C 1.505 -0.925 0 C-N-CA 122.942 2.428 . . . . 0.0 110.418 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 10.6 tt -72.87 -43.9 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.616 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.44 -44.34 94.82 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.895 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.74 -24.44 58.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 27.4 ttpp -69.92 -42.75 72.9 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 79.8 mtp180 -57.5 -43.63 84.36 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.531 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -63.59 -52.01 62.82 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.574 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HA ' HD12 ' A' ' 50' ' ' ILE . 53.3 ttt180 -54.01 -45.84 71.61 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 123.568 0.747 . . . . 0.0 111.107 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.67 -49.1 78.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.981 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ARG . 38.3 mtm180 -61.61 -35.93 79.26 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 123.282 0.364 . . . . 0.0 111.395 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.5 mt -57.98 -52.38 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.13 -41.65 99.35 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 34.5 mm-40 -59.45 -41.97 90.88 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.439 0.462 . . . . 0.0 111.874 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 18.1 m -76.48 -41.91 45.49 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -64.29 -42.39 96.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.581 0.752 . . . . 0.0 110.073 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 m -68.53 -42.17 78.87 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.055 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.35 -31.18 65.4 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.83 -0.544 . . . . 0.0 110.175 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 2.0 tm? -53.57 -58.72 6.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.856 1.662 . . . . 0.0 108.067 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -55.4 -50.28 70.16 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.267 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.4 m -56.57 -58.09 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.302 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.51 -32.8 74.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.54 HD11 HG23 ' A' ' 84' ' ' THR . 45.8 mm -69.44 -49.71 57.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 20.4 t70 -78.63 -39.13 38.01 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 123.913 0.885 . . . . 0.0 112.549 -178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -37.46 59.95 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.115 0.483 . . . . 0.0 110.794 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 87' ' ' HIS . 6.0 mp -94.2 -28.15 15.8 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.708 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 27.3 mtmt 52.39 58.37 5.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 123.052 1.406 . . . . 0.0 109.049 -176.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 30.0 mmmt -51.23 -70.44 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 110.783 -2.917 . . . . 0.0 111.209 -175.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 34.2 t70 178.5 147.5 0.17 Allowed 'General case' 0 CA--C 1.467 -2.225 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -87.21 -20.56 26.77 Favored 'General case' 0 N--CA 1.399 -2.992 0 O-C-N 123.611 0.569 . . . . 0.0 111.852 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 70.4 m -78.41 -37.7 43.25 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.283 0.564 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.23 -6.58 59.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.492 0.663 . . . . 0.0 110.315 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 25.1 t-80 -90.22 170.36 10.35 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m 76.15 -54.25 0.6 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.939 1.295 . . . . 0.0 111.924 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 38.81 1.28 Allowed 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 13.2 tp -94.26 110.8 22.52 Favored 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 112.967 -1.924 . . . . 0.0 106.23 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.64 149.6 41.89 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.918 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.2 ttmt -48.57 -44.92 37.13 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 123.843 0.857 . . . . 0.0 112.746 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.97 72.0 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.903 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.24 -36.52 39.82 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.662 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 95.5 mt -60.52 -54.59 32.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.036 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 77' ' ' LYS . 9.0 mp -55.15 -52.88 61.87 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.901 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 pt-20 -71.48 -23.8 61.88 Favored 'General case' 0 C--O 1.189 -2.114 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.536 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 38.6 tpp -64.51 -42.91 95.51 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.664 0.745 . . . . 0.0 109.052 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.571 HG21 ' CD2' ' A' ' 57' ' ' LEU . 6.2 m -60.63 -44.09 96.76 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.523 176.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 87.4 t -61.35 -41.7 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.434 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 52.4 mttm -65.33 -42.89 92.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.508 ' CD2' HD21 ' B' ' 88' ' ' LEU . 27.2 t60 -66.77 -26.95 67.21 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.511 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 13.8 tp -63.46 -43.14 98.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 11.2 mmm-85 -65.54 -43.51 89.72 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.111 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -55.82 -55.14 36.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.071 0.857 . . . . 0.0 111.022 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.99 -35.43 80.67 Favored 'General case' 0 C--O 1.205 -1.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.382 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -67.41 -23.5 65.56 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 8.4 ppt_? -111.9 16.12 20.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.273 0.558 . . . . 0.0 111.419 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.54 25.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.598 0.714 . . . . 0.0 110.441 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 N--CA 1.424 -1.736 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 178.037 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 26' ' ' MET . . . . . 0.489 ' HG2' ' H ' ' B' ' 27' ' ' LYS . 21.9 ttp . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.489 ' H ' ' HG2' ' B' ' 26' ' ' MET . 83.2 tttt -48.98 -48.66 71.83 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.0 Cg_exo -69.74 77.47 1.06 Allowed 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 121.401 1.401 . . . . 0.0 109.984 171.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -87.39 -51.67 5.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.192 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -84.49 73.16 10.56 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 122.206 1.003 . . . . 0.0 108.812 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.15 21.51 2.8 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.442 -1.253 . . . . 0.0 107.763 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -83.84 80.25 9.21 Favored 'General case' 0 N--CA 1.419 -1.993 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.182 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -134.6 131.91 38.4 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 173.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -109.63 -167.19 1.17 Allowed 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -54.15 111.74 0.83 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -94.56 132.5 39.18 Favored 'General case' 0 N--CA 1.397 -3.078 0 CA-C-O 121.716 0.769 . . . . 0.0 112.322 -166.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.4 m -164.56 19.24 0.06 Allowed 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 113.151 -1.841 . . . . 0.0 109.648 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -158.54 167.42 29.65 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.45 148.65 47.32 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' B' ' 44' ' ' LYS . 8.6 Cg_endo -52.49 -48.14 23.42 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.84 2.36 . . . . 0.0 111.752 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 8.6 tt -64.26 -44.88 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.018 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.87 -41.37 82.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.1 -24.37 58.07 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 40' ' ' PRO . 50.2 mtmt -72.22 -41.8 66.47 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 76.8 mtp180 -59.08 -48.93 79.81 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 50' ' ' ILE . 33.3 ttm180 -60.3 -55.04 38.56 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.101 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.9 ttt180 -51.79 -47.78 64.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.61 0.764 . . . . 0.0 110.498 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.83 -52.76 63.83 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.905 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -64.28 -31.33 72.48 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 123.144 0.277 . . . . 0.0 110.985 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.2 mt -61.49 -49.45 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.31 0.576 . . . . 0.0 109.507 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -66.2 -39.03 89.37 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.274 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.7 mm-40 -58.46 -44.19 89.15 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 123.565 0.54 . . . . 0.0 111.099 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.3 p -76.04 -43.29 44.63 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.404 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.31 -42.71 96.12 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.564 0.697 . . . . 0.0 109.487 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.5 m -65.73 -48.11 73.06 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.786 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.32 -29.65 66.43 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.481 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -55.83 -58.41 7.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.071 0.948 . . . . 0.0 110.69 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' B' ' 80' ' ' ILE . 59.5 pttt -63.1 -36.26 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -59.17 -57.17 14.23 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 123.899 0.749 . . . . 0.0 110.65 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.22 -36.35 74.49 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mm -63.09 -49.56 82.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.451 0.643 . . . . 0.0 110.562 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -34.91 78.77 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.534 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.3 t70 -77.41 -25.67 50.96 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 123.289 0.636 . . . . 0.0 111.798 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.29 -36.66 63.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.964 0.411 . . . . 0.0 110.232 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.406 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -96.18 -32.21 12.59 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.759 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 24.5 mtmt 55.89 58.42 4.44 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-O 122.618 1.199 . . . . 0.0 109.751 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -63.59 -69.68 0.26 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 112.347 -2.206 . . . . 0.0 111.189 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' B' ' 70' ' ' SER . 13.7 t70 179.98 147.25 0.26 Allowed 'General case' 0 CA--C 1.47 -2.1 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -86.77 -23.95 25.25 Favored 'General case' 0 N--CA 1.399 -3.011 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.98 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' SER . . . . . 0.524 ' HB2' ' OD2' ' B' ' 68' ' ' ASP . 35.2 m -69.11 -43.28 74.79 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.173 0.511 . . . . 0.0 109.721 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.53 HH12 HD21 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -76.23 -9.55 58.72 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.067 176.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -86.97 -22.76 25.38 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 171.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 39.0 m -90.03 6.43 42.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.633 0.73 . . . . 0.0 110.982 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -141.19 74.4 1.46 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.433 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.53 HD21 HH12 ' B' ' 71' ' ' ARG . 28.5 mt -135.12 124.6 24.94 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.565 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -88.28 157.97 18.6 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.478 ' O ' HD13 ' B' ' 81' ' ' LEU . 31.9 ttmt -50.84 -46.09 59.96 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.128 0.571 . . . . 0.0 112.175 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.87 71.6 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.84 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -75.96 -39.96 54.93 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.143 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' B' ' 58' ' ' LYS . 80.7 mt -61.13 -48.16 90.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.087 176.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 77' ' ' LYS . 7.0 mp -58.46 -51.31 70.39 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.647 177.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.4 tt0 -62.79 -38.25 89.92 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.824 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.8 ttp -61.39 -37.29 82.89 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.505 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 27.3 m -67.13 -49.87 63.34 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.689 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.0 t -60.53 -46.45 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 121.144 0.497 . . . . 0.0 110.677 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.9 mtmt -64.31 -37.88 89.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.128 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.47 ' HA ' ' ND2' ' B' ' 90' ' ' ASN . 26.6 t60 -67.4 -29.58 69.12 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.307 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 87' ' ' HIS . 1.1 tm? -67.34 -35.65 79.83 Favored 'General case' 0 N--CA 1.418 -2.038 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -68.79 -35.19 76.72 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.647 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' B' ' 93' ' ' ARG . 59.2 m-20 -62.04 -46.64 88.29 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.898 0.856 . . . . 0.0 109.158 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.515 HD22 HE22 ' B' ' 95' ' ' GLN . 94.4 mt -66.16 -39.74 90.02 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.877 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.91 -17.22 63.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -96.48 -23.39 16.59 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 116.27 -2.172 . . . . 0.0 109.973 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.48 -17.66 21.3 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLN . . . . . 0.515 HE22 HD22 ' B' ' 91' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.309 -1.194 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.465 0.174 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -113.03 108.16 53.49 Favored Pre-proline 0 C--O 1.241 0.649 0 O-C-N 122.309 -0.244 . . . . 0.0 110.789 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -83.36 164.7 14.66 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.152 1.901 . . . . 0.0 109.367 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.0 122.97 16.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.6 m -106.25 88.12 2.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.74 -60.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -104.79 -162.21 0.87 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.847 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -54.69 117.82 3.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.388 0.675 . . . . 0.0 112.287 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -153.67 9.14 0.39 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.674 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -121.45 -47.01 2.25 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.21 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? 67.48 86.41 0.13 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.533 1.158 . . . . 0.0 111.183 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 t -138.09 92.32 2.65 Favored 'General case' 0 C--N 1.276 -2.622 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -114.6 -2.57 13.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 7.6 mmpt? -104.7 115.5 62.56 Favored Pre-proline 0 N--CA 1.432 -1.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.67 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 18.9 Cg_endo -61.86 -33.8 83.63 Favored 'Trans proline' 0 C--O 1.221 -0.342 0 C-N-CA 123.261 2.64 . . . . 0.0 111.366 -177.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 12.2 tt -70.25 -47.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.704 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.3 -43.48 98.73 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.482 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.2 pt-20 -74.0 -24.94 59.65 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.406 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -75.62 -37.25 59.89 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.345 0.593 . . . . 0.0 109.574 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 60.7 mtp180 -69.23 -44.77 71.33 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.304 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.1 ttm180 -58.99 -47.22 85.97 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.272 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -51.83 -48.1 64.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.185 0.994 . . . . 0.0 111.382 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.64 -48.28 79.91 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -61.61 -43.37 98.98 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.691 0.62 . . . . 0.0 111.075 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' ARG . 88.4 mt -54.99 -52.68 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 121.156 0.503 . . . . 0.0 110.422 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.33 -44.1 97.28 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 37.8 mm-40 -64.63 -37.4 87.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 p -77.26 -34.96 55.67 Favored 'General case' 0 N--CA 1.427 -1.605 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.272 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -73.52 -37.2 65.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.614 0.721 . . . . 0.0 109.403 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -70.65 -41.43 72.13 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.597 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.36 -31.56 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 9.3 tt -56.52 -58.25 8.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 110.233 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -60.75 -36.92 80.13 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.145 0.278 . . . . 0.0 110.982 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -64.0 -51.96 61.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.278 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.16 -27.74 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.416 HD11 HG23 ' A' ' 84' ' ' THR . 24.4 mm -69.78 -55.53 14.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 CA-C-O 121.207 0.527 . . . . 0.0 109.935 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -31.35 67.28 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.771 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 11.8 t70 -81.66 -27.71 33.92 Favored 'General case' 0 C--O 1.203 -1.378 0 C-N-CA 123.425 0.69 . . . . 0.0 111.67 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.85 61.49 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.438 -0.789 . . . . 0.0 111.569 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.7 mp -115.98 -37.97 3.75 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.91 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.771 ' HE3' ' O ' ' A' ' 63' ' ' ASP 0.315 92.0 mttt 69.43 75.61 0.23 Allowed 'General case' 0 CA--C 1.468 -2.2 0 CA-C-O 123.667 1.699 . . . . 0.0 112.154 -176.057 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.21 -71.03 0.43 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 110.931 -2.85 . . . . 0.0 109.657 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.549 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 38.5 t70 -173.45 126.84 0.42 Allowed 'General case' 0 CA--C 1.467 -2.217 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 30.7 p -84.34 -15.4 46.62 Favored 'General case' 0 N--CA 1.4 -2.958 0 C-N-CA 120.025 -0.67 . . . . 0.0 112.175 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.549 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 44.9 m -71.75 -43.52 65.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.516 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -75.38 -12.53 60.27 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 120.807 0.337 . . . . 0.0 110.458 176.751 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.831 ' HA ' HD23 ' A' ' 75' ' ' LEU . 40.8 t-80 -65.76 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 109.528 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.3 m -82.47 -0.36 46.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.892 0.853 . . . . 0.0 110.349 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.67 19.51 6.16 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -81.67 119.33 23.69 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.665 -178.564 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 80' ' ' ILE . 80.4 mt-10 -97.37 152.43 18.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.0 ttpt -47.84 -46.92 31.51 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.2 73.65 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.131 0.491 . . . . 0.0 112.007 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.38 -39.22 59.41 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.531 HG13 HD12 ' A' ' 75' ' ' LEU . 70.0 mt -66.01 -51.45 60.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.196 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 mp -53.53 -53.39 52.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.896 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.1 tt0 -63.51 -35.51 80.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.2 ttm -65.11 -37.66 88.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.737 0.779 . . . . 0.0 109.339 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.416 HG23 HD11 ' A' ' 61' ' ' ILE . 25.3 m -71.92 -43.11 65.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.464 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 40.7 t -64.04 -45.96 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 72.2 mttt -65.72 -36.4 83.51 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.495 -178.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -70.44 -26.34 63.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.25 -34.44 74.79 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 22.7 mmm180 -67.46 -38.16 84.04 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.66 -51.55 69.46 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.291 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.03 -32.88 74.61 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.447 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 11.8 mm-40 -72.97 -11.84 60.72 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -2.4 12.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 61.83 29.14 17.84 Favored 'General case' 0 N--CA 1.421 -1.898 0 C-N-CA 125.842 1.657 . . . . 0.0 111.279 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.272 0 CA-C-N 111.877 -2.42 . . . . 0.0 113.376 171.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 88.5 tttt -144.51 139.91 16.06 Favored Pre-proline 0 N--CA 1.434 -1.241 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -175.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 -32.97 84.26 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.481 2.12 . . . . 0.0 110.475 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 29.2 mtpp 75.28 166.15 0.28 Allowed 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.386 1.474 . . . . 0.0 111.012 177.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.3 m -55.11 -43.8 74.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.45 134.46 22.62 Favored 'General case' 0 N--CA 1.413 -2.296 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -85.49 123.23 30.68 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.489 ' HA ' ' CE ' ' B' ' 36' ' ' LYS . 14.6 mm-40 -77.57 -47.86 18.39 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 t60 64.95 -75.21 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.002 1.321 . . . . 0.0 111.082 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -141.09 -36.62 0.45 Allowed 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' B' ' 33' ' ' GLU . 12.9 tppt? 64.72 108.91 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 126.217 1.807 . . . . 0.0 112.698 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.2 p -78.64 -34.73 46.24 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.726 0.774 . . . . 0.0 110.742 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.4 p -174.62 168.22 3.75 Favored 'General case' 0 N--CA 1.409 -2.504 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.464 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 8.3 mmpt? -72.91 128.78 87.52 Favored Pre-proline 0 C--N 1.285 -2.218 0 CA-C-N 118.083 0.402 . . . . 0.0 110.286 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -59.36 -34.26 97.65 Favored 'Trans proline' 0 CA--C 1.51 -0.71 0 C-N-CA 123.223 2.615 . . . . 0.0 110.875 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -71.98 -46.01 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.347 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -41.89 94.13 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.62 0.248 . . . . 0.0 111.554 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.3 pt-20 -75.77 -24.71 56.05 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -74.77 -42.43 58.17 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -60.65 -43.83 97.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.853 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.474 ' O ' HG13 ' B' ' 50' ' ' ILE . 39.5 ttm180 -61.54 -50.44 72.68 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.778 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' B' ' 50' ' ' ILE . 73.4 ttt180 -55.63 -48.48 74.88 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.411 0.685 . . . . 0.0 111.576 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.03 -48.55 81.19 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.974 0.509 . . . . 0.0 110.052 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -37.31 83.22 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.493 HD13 ' HE3' ' A' ' 77' ' ' LYS . 96.7 mt -57.96 -53.2 48.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 123.106 0.563 . . . . 0.0 109.877 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -56.81 -47.35 80.46 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 65.5 mm-40 -58.24 -41.21 83.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.247 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -76.08 -37.81 57.77 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.754 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -72.69 -37.45 67.87 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.74 -42.98 97.77 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.347 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.04 -34.78 71.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.092 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.2 tt -55.3 -58.25 8.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.537 1.135 . . . . 0.0 109.154 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -47.97 -46.22 32.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 125.446 1.499 . . . . 0.0 111.407 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -70.85 -50.29 36.89 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.279 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.4 mt -69.42 -30.55 68.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' B' ' 61' ' ' ILE . 20.1 mm -66.46 -48.24 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.673 175.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -38.38 79.82 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.757 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 42.6 m-20 -77.7 -24.39 49.26 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -27.89 61.16 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 120.913 -1.117 . . . . 0.0 111.487 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 65' ' ' LEU . 3.3 mp -110.09 -30.11 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.07 -177.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.757 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 66.9 mmtt 64.11 69.57 0.53 Allowed 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 122.186 0.994 . . . . 0.0 110.718 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -84.89 -83.88 0.16 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.33 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.512 ' HB2' ' HG3' ' B' ' 71' ' ' ARG . 3.3 m-20 -157.66 143.0 17.03 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.074 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.5 p -86.73 -21.04 26.84 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.362 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -74.81 -45.0 46.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.867 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.512 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -84.76 -2.64 57.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.809 -178.18 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.515 ' HA ' HD12 ' B' ' 75' ' ' LEU . 3.2 t-160 -55.96 -42.64 76.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.4 p -91.99 9.02 34.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.458 0.647 . . . . 0.0 112.176 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -113.96 9.56 17.44 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 123.393 1.568 . . . . 0.0 108.31 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' B' ' 72' ' ' HIS . 3.2 mt -89.78 119.96 30.62 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.537 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -80.95 158.58 25.18 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.482 ' O ' HD13 ' B' ' 81' ' ' LEU . 19.5 ttmm -49.84 -52.6 31.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.204 0.602 . . . . 0.0 112.249 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.04 -30.19 64.03 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.227 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.06 -44.48 22.07 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.931 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.4 -50.51 80.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.227 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 85' ' ' VAL . 8.3 mp -52.86 -53.0 55.25 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.548 0.53 . . . . 0.0 110.719 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 12.7 tt0 -65.1 -34.49 78.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.31 -35.64 78.11 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.858 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 81' ' ' LEU . 43.9 t -66.79 -43.08 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 63.6 mttt -68.81 -31.82 71.08 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -71.32 -27.7 63.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.78 0.324 . . . . 0.0 110.132 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 3.7 tt -63.29 -42.41 99.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.434 HH11 HD22 ' B' ' 88' ' ' LEU . 18.2 mmm180 -65.22 -42.58 93.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.165 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.77 -49.17 77.47 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.762 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.14 -48.12 81.51 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.278 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.56 -16.41 47.67 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -107.46 0.07 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 111.227 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.78 10.03 38.71 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.435 -1.188 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.05 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -125.99 156.02 72.36 Favored Pre-proline 0 C--N 1.312 -1.026 0 O-C-N 121.977 -0.452 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -64.09 -29.24 65.58 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.372 2.048 . . . . 0.0 109.377 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt 66.35 -82.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.08 1.352 . . . . 0.0 112.074 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.1 m -154.72 122.0 5.64 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.97 77.5 10.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.799 0.809 . . . . 0.0 109.424 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 m -160.23 174.8 13.69 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.11 123.73 27.21 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.87 77.64 3.46 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -97.7 -47.42 5.61 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 170.416 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -171.83 161.8 5.97 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t -123.19 18.34 9.92 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.993 0.901 . . . . 0.0 109.975 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -167.22 -178.11 3.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -89.19 122.73 68.44 Favored Pre-proline 0 N--CA 1.415 -2.216 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.952 176.48 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.53 -36.44 97.37 Favored 'Trans proline' 0 C--O 1.215 -0.663 0 C-N-CA 123.055 2.503 . . . . 0.0 111.629 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -71.96 -43.1 68.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.219 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.4 mmm -67.62 -43.94 79.2 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.997 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.38 -23.56 59.01 Favored 'General case' 0 C--O 1.197 -1.7 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.975 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -75.48 -41.28 55.89 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -63.31 -43.52 97.59 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.36 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.6 ttm180 -62.63 -48.39 79.6 Favored 'General case' 0 C--O 1.197 -1.699 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.143 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.1 ttm180 -57.58 -43.55 84.68 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.554 1.142 . . . . 0.0 111.505 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.42 -49.8 75.96 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -62.97 -36.22 82.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.684 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 46' ' ' ARG . 89.8 mt -57.37 -53.66 41.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 C-N-CA 123.158 0.583 . . . . 0.0 109.648 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -60.04 -48.36 82.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.723 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 10.5 mm-40 -60.43 -40.69 91.98 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 123.664 0.602 . . . . 0.0 112.143 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.0 t -77.05 -39.04 51.39 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 121.953 -0.467 . . . . 0.0 110.786 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.5 tt -65.4 -44.23 88.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -62.62 -44.57 95.95 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.53 -25.95 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.627 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.72 -56.31 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.969 0.507 . . . . 0.0 109.814 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.61 -37.17 72.83 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.206 0.316 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -60.68 -51.68 68.32 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.54 -40.37 73.47 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.64 -48.04 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.215 0.531 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 72' ' ' HIS . 3.9 mm? -71.08 -19.95 62.41 Favored 'General case' 0 C--O 1.192 -1.956 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.522 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 8.3 t70 -82.51 -29.94 30.14 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.74 0.781 . . . . 0.0 109.267 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.27 -35.55 58.86 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' ND1' ' A' ' 87' ' ' HIS . 5.1 mp -108.57 -34.93 6.59 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.199 -1.001 . . . . 0.0 112.831 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 34.8 mtmt 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.691 0.758 . . . . 0.0 112.19 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.28 -62.3 1.7 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.283 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 10.1 m-20 -151.5 139.13 19.67 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.433 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 p -79.41 -31.87 42.81 Favored 'General case' 0 C--N 1.283 -2.294 0 O-C-N 124.001 0.813 . . . . 0.0 109.595 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -66.18 -37.69 86.23 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.059 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 15.2 ptp180 -69.5 -42.6 74.53 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 24.1 t-80 -55.69 -40.66 72.65 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.724 1.21 . . . . 0.0 111.401 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -79.83 1.44 26.93 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 44.11 0.57 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 123.071 1.415 . . . . 0.0 108.617 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 12.4 mt -81.01 118.86 22.84 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.523 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.38 155.03 20.76 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 20.1 ttmm -44.36 -54.93 5.37 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -54.83 -33.61 61.87 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 124.35 1.06 . . . . 0.0 112.464 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.79 -34.82 39.35 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.994 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.552 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 62.7 mt -72.95 -50.61 31.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.238 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 47.7 mt -54.73 -48.85 72.05 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 123.989 0.806 . . . . 0.0 109.335 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 28.0 tt0 -57.38 -49.0 77.59 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.423 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 tpp -53.65 -40.26 65.72 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 124.81 1.244 . . . . 0.0 110.863 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -46.43 78.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 110.752 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.727 HG22 HD23 ' B' ' 57' ' ' LEU . 24.9 t -58.07 -44.11 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.625 1.203 . . . . 0.0 108.613 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 12.5 mmtp -65.92 -37.24 85.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.932 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.518 ' ND1' HD11 ' A' ' 65' ' ' LEU . 75.6 t60 -73.14 -27.9 61.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.156 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.9 tm? -57.94 -50.99 71.5 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 175.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.9 mpt_? -58.99 -45.27 91.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 123.318 0.386 . . . . 0.0 110.725 177.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.41 -52.12 64.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 123.698 0.624 . . . . 0.0 111.512 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.1 mt -71.63 -17.71 62.25 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -86.42 -21.67 26.99 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.174 0.511 . . . . 0.0 112.056 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.5 ppt_? -110.7 9.62 22.8 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.237 0.541 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.9 60.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.462 0.649 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 C--O 1.24 0.595 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HB3' ' HD3' ' B' ' 28' ' ' PRO . 40.1 ttmt -99.72 -50.1 0.2 Allowed Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' B' ' 27' ' ' LYS . 24.3 Cg_exo -68.79 153.78 72.36 Favored 'Trans proline' 0 C--N 1.387 2.585 0 N-CA-C 107.817 -1.647 . . . . 0.0 107.817 167.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' B' ' 29' ' ' LYS . 3.4 mptp? -94.42 -35.26 12.42 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.378 -173.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -132.43 116.23 16.54 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.694 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.97 152.78 13.61 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -84.92 78.78 9.83 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 121.26 0.553 . . . . 0.0 110.814 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . 0.486 0.0 OUTLIER 44.09 -78.92 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.47 2.767 . . . . 0.0 118.47 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -116.83 -3.52 11.67 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 118.712 0.687 . . . . 0.0 111.854 -176.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -121.65 118.17 28.49 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.379 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -165.85 116.21 1.03 Allowed 'General case' 0 C--O 1.246 0.902 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m 65.66 88.55 0.11 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.795 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -134.0 167.71 20.12 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.558 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -104.7 134.84 19.45 Favored Pre-proline 0 C--N 1.286 -2.164 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.187 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -58.54 -37.54 94.05 Favored 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.445 2.097 . . . . 0.0 110.518 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 tt -69.05 -45.56 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.411 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 26.4 mmt -67.18 -39.78 86.45 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.44 -21.61 59.52 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.954 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -69.7 -42.08 74.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.498 0.666 . . . . 0.0 109.482 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.705 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.53 ' O ' HG13 ' B' ' 50' ' ' ILE . 45.2 ttp180 -58.92 -53.9 53.24 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' B' ' 50' ' ' ILE . 61.7 ttp180 -49.18 -47.98 45.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.927 1.291 . . . . 0.0 111.518 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -61.07 -49.32 77.82 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' A' ' 82' ' ' GLU . 52.4 ttt180 -61.92 -30.86 71.18 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.568 0.543 . . . . 0.0 110.239 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.8 mt -61.87 -56.98 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -61.21 -45.29 95.2 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.977 0.418 . . . . 0.0 110.549 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 39.3 mt-10 -62.52 -42.0 99.22 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.146 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -76.78 -38.17 54.54 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.884 -0.726 . . . . 0.0 111.113 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -41.16 89.99 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 33.0 t -70.43 -42.67 71.25 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.68 -28.91 67.29 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.323 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.727 HD23 HG22 ' A' ' 85' ' ' VAL . 3.1 tm? -63.48 -59.43 4.67 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.175 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.19 44.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -66.83 -59.81 3.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.317 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -40.4 95.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.476 ' O ' HD13 ' B' ' 65' ' ' LEU . 48.8 mm -63.67 -50.49 77.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.068 0.461 . . . . 0.0 110.869 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.08 74.28 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.567 -175.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.645 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 11.7 m-20 -77.84 -27.97 50.02 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.42 -37.26 25.75 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.104 -1.039 . . . . 0.0 110.818 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.5 mp -88.71 -28.19 20.71 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.024 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.645 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 58.01 66.03 1.19 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.548 1.155 . . . . 0.0 110.512 178.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -76.36 -71.56 0.38 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.976 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -172.75 145.53 1.5 Allowed 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -76.05 -28.89 57.83 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 123.711 0.632 . . . . 0.0 110.939 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -72.78 -38.43 67.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.577 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -80.15 -16.55 54.65 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.833 -178.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -67.78 -42.41 81.71 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 173.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -83.97 7.8 17.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.432 0.634 . . . . 0.0 111.014 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.633 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -127.57 23.88 6.25 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.981 1.372 . . . . 0.0 107.49 178.216 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 34.7 mt -82.04 98.1 8.46 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.849 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.16 162.96 23.42 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.7 ttmt -52.11 -47.63 65.2 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -26.65 68.57 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.729 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -43.67 55.06 Favored 'General case' 0 CA--C 1.484 -1.568 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.608 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 57.2 mt -66.23 -51.52 58.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.445 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 72.1 mt -53.48 -50.81 64.57 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 123.89 0.744 . . . . 0.0 110.617 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 25.0 tt0 -60.18 -42.33 94.78 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.127 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.82 -34.71 76.43 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -173.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.605 ' CG2' HD21 ' B' ' 57' ' ' LEU . 0.2 OUTLIER -66.74 -47.15 73.14 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 81' ' ' LEU . 48.0 t -59.56 -42.44 88.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 121.987 0.899 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.7 mtmt -65.66 -34.56 78.5 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.545 177.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -34.54 78.53 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.1 -47.81 84.36 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -57.62 -47.68 81.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.434 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.68 -56.32 22.7 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.665 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 64.9 mt -64.78 -34.98 79.63 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.883 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -62.52 -33.76 75.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.816 0.341 . . . . 0.0 111.795 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.76 -6.25 43.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.05 62.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.376 0.607 . . . . 0.0 110.44 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.037 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 61.7 mttp -90.03 166.39 20.5 Favored Pre-proline 0 C--O 1.251 1.178 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 8.1 Cg_endo -49.8 142.75 24.87 Favored 'Trans proline' 0 C--N 1.362 1.245 0 C-N-CA 123.173 2.582 . . . . 0.0 112.764 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -140.0 179.01 6.86 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.792 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 m -91.93 96.88 10.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.02 -4.21 19.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.269 0.557 . . . . 0.0 110.768 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -149.43 150.34 32.23 Favored 'General case' 0 N--CA 1.427 -1.578 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -81.64 -27.58 34.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 m80 66.37 166.28 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.63 1.172 . . . . 0.0 110.853 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -163.62 164.6 24.0 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -172.61 115.2 0.3 Allowed 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.996 2.119 . . . . 0.0 105.606 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.1 p -129.14 -38.21 1.62 Allowed 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -129.46 -94.7 0.41 Allowed 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.8 mmpt? -106.29 124.87 34.45 Favored Pre-proline 0 C--N 1.274 -2.686 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.411 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 21.4 Cg_endo -60.68 -38.21 73.35 Favored 'Trans proline' 0 C--O 1.217 -0.573 0 C-N-CA 122.722 2.281 . . . . 0.0 110.985 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 tt -70.61 -45.03 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.69 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 39' ' ' LYS . 25.7 mmt -65.55 -42.49 91.84 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 120.907 0.384 . . . . 0.0 111.91 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.0 pt-20 -79.16 -16.75 56.16 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.883 -178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -37.4 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 172.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -67.17 -42.62 83.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.515 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 ttm180 -64.17 -40.45 96.15 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.799 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.5 ttp180 -55.71 -44.15 77.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.343 0.657 . . . . 0.0 110.122 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -56.61 -51.95 66.72 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.8 -39.3 77.23 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.516 0.51 . . . . 0.0 111.398 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.8 mt -58.73 -53.32 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 O-C-N 123.403 0.44 . . . . 0.0 110.013 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.55 -45.5 93.9 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 120.994 0.426 . . . . 0.0 110.586 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 40.8 mt-10 -60.94 -42.56 98.41 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.939 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -76.86 -35.0 57.79 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.498 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.73 -40.15 69.6 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -64.34 -49.47 71.54 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.407 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 10.5 pt20 -67.41 -30.56 70.35 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.55 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.89 -57.35 13.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -52.75 -44.47 66.48 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.648 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.9 m -65.4 -50.26 66.17 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.094 -174.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 79.4 mt -73.05 -30.7 63.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -175.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 61' ' ' ILE . 25.7 mm -66.59 -46.51 85.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.065 0.459 . . . . 0.0 110.173 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -20.77 64.34 Favored 'General case' 0 C--O 1.197 -1.702 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.45 -31.26 29.55 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.665 0.786 . . . . 0.0 111.037 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.99 -36.78 24.77 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.475 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.8 mp -95.62 -37.06 11.0 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.236 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 55.06 67.02 1.08 Allowed 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 122.438 1.113 . . . . 0.0 111.982 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 66.9 mttm -78.57 -71.33 0.44 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.62 152.12 3.08 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -87.23 -20.17 27.31 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.566 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -71.39 -45.95 61.49 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -73.35 -17.94 61.24 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.661 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -72.87 -34.85 67.0 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 m -80.32 -8.81 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.551 0.691 . . . . 0.0 111.107 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -117.38 19.82 13.88 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 122.915 1.341 . . . . 0.0 108.026 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 17.0 mt -83.28 109.58 17.37 Favored 'General case' 0 N--CA 1.411 -2.383 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -80.09 156.86 26.86 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-N 114.229 -1.35 . . . . 0.0 108.097 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 28.5 ttpt -52.93 -42.14 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.429 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -59.61 -35.03 73.53 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.309 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.02 -43.56 24.05 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.735 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.3 mt -59.04 -51.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 83.5 mt -58.64 -50.49 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.5 tt0 -61.08 -37.36 82.43 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.826 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.628 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 47.6 tpp -64.79 -38.08 89.78 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.428 0.632 . . . . 0.0 109.511 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 m -66.96 -39.16 87.18 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.659 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.605 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 46.7 t -71.81 -42.66 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 110.158 178.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.7 mtmt -65.94 -36.78 84.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.963 0.411 . . . . 0.0 110.977 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 65' ' ' LEU . 80.8 t60 -70.93 -27.14 63.55 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.795 0.331 . . . . 0.0 110.152 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.8 tp -62.36 -40.09 95.28 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -65.02 -42.68 94.19 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.149 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 93' ' ' ARG . 62.7 m-20 -59.98 -46.14 90.41 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.529 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.45 -43.85 76.17 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.029 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -63.05 -17.32 62.12 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -104.5 -14.42 15.69 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 116.454 -2.098 . . . . 0.0 109.035 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.97 -7.05 59.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.87 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.034 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 CA--C 1.506 -0.747 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 64.24 103.25 0.03 OUTLIER Pre-proline 0 C--O 1.241 0.631 0 O-C-N 124.598 1.187 . . . . 0.0 110.68 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -73.65 134.94 21.05 Favored 'Trans proline' 0 N--CA 1.443 -1.464 0 C-N-CA 122.065 1.844 . . . . 0.0 112.649 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -115.34 95.96 5.43 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -68.61 137.58 54.36 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.053 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.14 75.06 10.37 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 173.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -59.79 142.71 52.79 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.769 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -80.62 82.46 6.63 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -104.1 1.71 31.18 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 122.007 0.908 . . . . 0.0 108.65 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -149.74 143.2 25.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.669 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -158.45 162.77 37.57 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -138.39 103.73 4.97 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -95.41 -0.06 52.9 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.562 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 7.5 mmpt? -86.93 122.4 71.3 Favored Pre-proline 0 N--CA 1.427 -1.616 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 172.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.53 -37.78 78.01 Favored 'Trans proline' 0 CA--C 1.513 -0.559 0 C-N-CA 123.581 2.854 . . . . 0.0 111.809 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.456 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 10.3 tt -76.78 -42.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.201 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.436 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 96.9 mmm -65.02 -40.46 94.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.303 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.77 -30.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.034 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -74.69 -45.0 47.31 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 43.5 mtp-105 -58.56 -43.31 89.31 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.313 0.578 . . . . 0.0 110.041 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.504 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.7 ttm105 -62.41 -54.55 38.58 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.708 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' B' ' 50' ' ' ILE . 26.4 ttt85 -54.77 -47.19 74.23 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.072 0.949 . . . . 0.0 111.501 -177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.94 71.64 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 123.207 0.603 . . . . 0.0 109.956 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -66.08 -30.99 71.6 Favored 'General case' 0 C--O 1.205 -1.253 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.383 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -59.02 -56.96 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.948 0.404 . . . . 0.0 110.09 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -61.28 -43.01 99.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.465 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -66.84 -37.8 85.17 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 28.6 p -75.74 -41.6 52.85 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.761 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.48 -38.63 87.99 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.6 0.563 . . . . 0.0 109.65 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 14.3 t -66.41 -51.39 57.47 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.87 -30.34 69.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.606 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.28 -54.88 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.491 1.116 . . . . 0.0 108.739 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 55' ' ' SER . 5.0 ttpm? -48.17 -48.69 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.777 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 32.9 m -67.63 -55.2 14.25 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 114.563 -1.198 . . . . 0.0 111.479 -172.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.51 -35.97 81.57 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.59 ' O ' HD12 ' B' ' 65' ' ' LEU . 28.4 mm -66.81 -56.44 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 O-C-N 123.238 0.336 . . . . 0.0 110.492 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.14 -36.19 79.12 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.524 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.6 OUTLIER -73.71 -25.42 60.21 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.004 -177.678 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -29.47 45.15 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.754 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.59 HD12 ' O ' ' B' ' 61' ' ' ILE . 4.1 mp -91.57 -31.38 15.93 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 118.4 -1.32 . . . . 0.0 109.317 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' B' ' 66' ' ' LYS . 9.5 mmpt? 64.02 66.02 0.67 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 124.53 1.144 . . . . 0.0 109.418 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.741 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -79.68 -69.78 0.56 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.477 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -179.09 146.51 0.3 Allowed 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.6 m -75.4 -22.9 57.08 Favored 'General case' 0 N--CA 1.4 -2.937 0 O-C-N 123.905 0.753 . . . . 0.0 112.118 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -70.56 -46.22 63.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.61 -7.24 57.41 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.472 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -85.65 -27.57 25.31 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.4 m -92.63 -4.58 53.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.1 0.952 . . . . 0.0 109.902 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.3 24.97 11.2 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 25.1 mt -85.1 112.28 20.52 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.946 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -90.43 158.69 16.95 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.8 ttmt -51.63 -45.99 63.48 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.159 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.2 -43.97 27.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.492 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 70.4 mt -64.26 -50.59 75.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 85.3 mt -56.8 -51.6 68.3 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 121.068 0.461 . . . . 0.0 110.337 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.655 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.8 tt0 -64.73 -35.99 82.83 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.752 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.741 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 35.5 tpp -62.98 -41.0 99.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.516 0.674 . . . . 0.0 109.674 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -64.13 -41.2 97.3 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.145 -1.388 . . . . 0.0 110.463 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 40.2 t -71.43 -41.3 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.464 0.65 . . . . 0.0 110.115 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.9 mtmt -67.83 -40.48 83.76 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.732 -0.605 . . . . 0.0 110.591 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -67.54 -26.73 66.46 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.127 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 19.4 tp -59.94 -47.65 84.93 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -37.18 86.3 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.669 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 11.0 m120 -61.46 -47.04 87.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.595 0.559 . . . . 0.0 110.529 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.06 -30.88 67.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.095 0.474 . . . . 0.0 111.412 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -78.18 -15.04 59.2 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.1 OUTLIER -104.72 0.73 28.61 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 121.957 -0.464 . . . . 0.0 111.103 -176.271 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.18 53.79 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.741 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.6 ttm . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 120.476 0.179 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -88.37 148.92 43.58 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.988 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.27 149.06 56.68 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 122.464 2.109 . . . . 0.0 109.791 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -105.74 -61.12 1.54 Allowed 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.791 -0.763 . . . . 0.0 110.181 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 p -95.77 -39.48 9.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-O 121.499 0.666 . . . . 0.0 110.518 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.5 -176.82 6.11 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.8 m -81.04 -18.75 45.68 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.331 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 5.7 tp10 -84.28 79.2 9.62 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.646 0.736 . . . . 0.0 111.899 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -117.23 88.85 2.99 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 168.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' OE1' ' A' ' 33' ' ' GLU . 10.2 ptm85 -116.7 115.86 26.44 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -168.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -163.83 149.1 10.76 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 168.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.8 m -129.99 76.25 1.71 Allowed 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.804 -0.759 . . . . 0.0 111.205 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 p -163.77 157.81 19.44 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.036 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 8.9 mmpt? -99.07 142.68 25.02 Favored Pre-proline 0 C--N 1.292 -1.895 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 2.3 Cg_endo -53.85 -39.47 84.19 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.319 2.012 . . . . 0.0 111.534 177.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 tt -71.17 -43.68 74.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 120.78 0.324 . . . . 0.0 111.35 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm -70.33 -39.26 74.85 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 pt-20 -74.18 -22.04 59.57 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.074 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -69.58 -42.1 74.94 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.69 -46.89 80.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 50' ' ' ILE . 33.7 ttm180 -56.79 -52.14 66.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.692 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 50' ' ' ILE . 10.5 ptm180 -58.53 -38.16 77.18 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.71 -49.67 76.84 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -63.27 -39.34 94.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HE3' ' B' ' 77' ' ' LYS . 96.7 mt -58.38 -57.24 11.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.261 0 C-N-CA 123.043 0.537 . . . . 0.0 110.432 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.92 -44.49 97.13 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 69.7 mm-40 -58.14 -38.7 77.05 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.105 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 m -76.75 -39.13 52.76 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.851 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.39 -38.86 91.24 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 t -60.05 -56.01 26.87 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.08 -29.53 69.87 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.84 -58.57 7.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.746 0.818 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -62.48 -30.12 71.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 m -69.48 -55.47 10.14 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.657 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.07 -29.86 69.75 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 84' ' ' THR . 23.9 mm -63.43 -50.65 77.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.17 0.509 . . . . 0.0 109.861 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -72.75 -24.0 60.9 Favored 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.346 -0.541 . . . . 0.0 109.673 -177.454 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -82.99 -34.35 26.38 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.18 -35.4 23.58 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.059 0.933 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.98 -29.03 13.52 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.509 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 33.9 mtmt 48.22 71.4 0.35 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.698 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 67.4 mttm -77.11 -80.43 0.1 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.595 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.0 t70 -161.57 151.09 16.47 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.2 t -83.97 -28.57 27.68 Favored 'General case' 0 C--N 1.269 -2.932 0 O-C-N 124.023 0.827 . . . . 0.0 109.481 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 m -66.74 -49.93 64.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.832 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -79.78 -13.16 59.63 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.744 -176.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.68 -38.85 75.86 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.708 0.766 . . . . 0.0 109.236 175.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -84.47 15.12 3.89 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.636 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -132.09 14.23 4.71 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.434 1.112 . . . . 0.0 109.469 176.25 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -85.31 126.68 33.92 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 80' ' ' ILE . 32.1 mt-10 -79.84 156.47 27.36 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 29.0 ttpt -50.28 -39.45 45.33 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.04 0.837 . . . . 0.0 112.607 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.73 76.31 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.933 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.8 -32.89 40.79 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.49 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 76' ' ' GLU . 2.3 mp -61.69 -51.21 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.4 mt -60.32 -49.67 76.69 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.005 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.672 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 25.3 tt0 -58.79 -38.98 79.75 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.278 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.698 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 50.6 tpp -64.41 -42.08 96.28 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.421 HG23 HD11 ' A' ' 61' ' ' ILE . 10.6 m -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.805 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.66 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 63.3 t -65.88 -54.39 27.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.905 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -56.24 -40.37 74.02 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.65 0.738 . . . . 0.0 110.997 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . 0.258 43.3 m-70 -75.09 -26.28 59.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.3 pp -72.29 -28.56 63.18 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 15.8 mmm-85 -66.11 -44.65 83.68 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.09 -55.27 35.04 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.339 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.05 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -39.73 95.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.946 0.403 . . . . 0.0 111.248 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.86 20.6 16.29 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.85 30.4 0.38 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.352 0.596 . . . . 0.0 110.156 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 93' ' ' ARG . 28.3 mm-40 . . . . . 0 N--CA 1.426 -1.669 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttp 57.89 97.37 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 124.57 1.148 . . . . 0.0 110.945 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.01 125.59 17.69 Favored 'Trans proline' 0 C--O 1.251 1.129 0 C-N-CA 123.651 2.901 . . . . 0.0 113.893 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.21 85.11 2.14 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 176.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -138.26 -61.73 0.59 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 122.03 -0.419 . . . . 0.0 110.755 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.23 67.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 108.775 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 114.76 28.55 Favored 'General case' 0 N--CA 1.414 -2.242 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -47.4 -58.61 3.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.235 1.014 . . . . 0.0 112.307 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 72.2 m80 62.02 80.91 0.21 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.294 0.996 . . . . 0.0 109.359 -173.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -50.9 124.55 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.076 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 90.96 3.84 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.017 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -137.02 -17.84 1.37 Allowed 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.608 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.0 p -161.71 -166.48 1.49 Allowed 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 20.6 mmtp -104.36 120.51 50.45 Favored Pre-proline 0 N--CA 1.409 -2.525 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 39' ' ' LYS . 26.6 Cg_exo -58.49 -40.64 72.66 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 C-N-CA 123.493 2.796 . . . . 0.0 110.48 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.27 -42.7 91.32 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.206 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt -70.08 -40.88 74.74 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.6 pt-20 -77.47 -20.21 54.74 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.369 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -72.72 -43.49 62.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -63.45 -37.43 87.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.772 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.586 ' O ' HG13 ' B' ' 50' ' ' ILE . 41.4 ttt180 -59.88 -53.16 61.15 Favored 'General case' 0 C--O 1.202 -1.419 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.446 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' B' ' 50' ' ' ILE . 94.7 mtt180 -58.48 -42.63 87.98 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 123.372 0.42 . . . . 0.0 111.521 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.59 -49.16 75.73 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 123.624 0.578 . . . . 0.0 109.548 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.22 -27.54 64.55 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.417 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 46' ' ' ARG . 98.6 mt -59.7 -52.87 55.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 174.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.36 -43.03 92.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.63 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.6 mm-40 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -75.1 -41.43 58.66 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.53 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.14 -36.56 84.01 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -59.67 -57.95 10.7 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.754 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.9 -29.88 69.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.94 -58.9 6.37 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.012 0.925 . . . . 0.0 110.358 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -62.34 -33.06 73.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.891 0.376 . . . . 0.0 110.954 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 m -63.71 -56.32 16.59 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.982 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -27.47 60.71 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 10.4 mm -60.78 -55.5 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -75.22 -21.03 58.93 Favored 'General case' 0 C--O 1.191 -1.989 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.369 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.89 -30.84 67.32 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.587 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.22 25.38 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.357 0.599 . . . . 0.0 109.881 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 16.8 mt -93.27 -38.13 11.68 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.515 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 51.93 65.68 1.42 Allowed 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 124.587 1.155 . . . . 0.0 111.393 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 66.1 mttm -79.33 -70.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.595 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.571 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.8 t70 -162.05 134.2 5.64 Favored 'General case' 0 CA--C 1.476 -1.872 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -87.35 -15.64 37.32 Favored 'General case' 0 N--CA 1.406 -2.649 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' SER . . . . . 0.571 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 47.2 t -69.41 -51.27 38.1 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.497 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -73.46 -9.82 59.08 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.587 ' HA ' HD23 ' B' ' 75' ' ' LEU . 3.6 t-80 -63.02 -22.3 66.76 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -92.44 3.17 56.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.28 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 36.99 3.24 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 122.841 1.305 . . . . 0.0 108.469 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.7 OUTLIER -83.11 124.05 30.1 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.245 175.675 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -86.45 144.49 27.26 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 25.8 ttpt -55.36 -38.37 68.73 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.389 0.614 . . . . 0.0 111.551 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.76 76.21 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.132 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -78.95 -39.34 34.78 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.679 -175.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' B' ' 75' ' ' LEU . 76.5 mt -61.75 -54.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.931 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 82.9 mt -58.3 -47.43 83.72 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 109.664 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.2 tt0 -62.19 -38.05 87.65 Favored 'General case' 0 C--O 1.203 -1.373 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.111 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.518 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 36.3 tpp -68.54 -32.02 71.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.613 0.72 . . . . 0.0 109.685 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.417 HG23 HD11 ' B' ' 61' ' ' ILE . 13.6 m -70.46 -42.11 71.89 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.801 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 59.7 t -69.75 -40.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 75.4 mttt -65.57 -33.05 75.0 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.229 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.496 ' CD2' HD21 ' B' ' 65' ' ' LEU . 14.3 t-80 -69.74 -30.25 67.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.807 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -64.98 -42.38 94.58 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.6 mmm180 -61.56 -48.83 79.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.51 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -55.29 -50.72 68.82 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 87' ' ' HIS . 87.0 mt -63.12 -44.6 95.18 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.11 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.32 -21.35 66.21 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 6.5 ppt_? -111.66 5.62 19.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 122.02 0.914 . . . . 0.0 111.227 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.77 16.43 17.52 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.998 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.426 -1.675 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -177.769 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 66.94 89.36 0.1 OUTLIER Pre-proline 0 CA--C 1.512 -0.498 0 C-N-CA 125.554 1.542 . . . . 0.0 110.939 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.77 94.52 0.7 Allowed 'Trans proline' 0 N--CA 1.445 -1.363 0 C-N-CA 122.21 1.94 . . . . 0.0 109.891 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -107.81 -48.09 3.47 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.352 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -95.14 -42.86 8.37 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.345 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.04 -70.12 0.41 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 m 65.11 174.18 0.21 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.834 0.854 . . . . 0.0 112.412 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.35 72.43 0.52 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.38 1.072 . . . . 0.0 111.801 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -109.88 70.06 0.72 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 122.085 0.945 . . . . 0.0 110.886 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -161.07 26.77 0.14 Allowed 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -158.02 133.48 8.91 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.864 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t -151.77 104.39 3.02 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -176.97 -170.35 0.3 Allowed 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 125.113 1.365 . . . . 0.0 107.502 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -104.78 120.19 51.01 Favored Pre-proline 0 N--CA 1.434 -1.23 0 CA-C-N 118.26 0.482 . . . . 0.0 111.516 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.58 -36.12 77.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.08 2.52 . . . . 0.0 111.964 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.7 tt -69.46 -43.92 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.447 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.3 mmm -66.46 -43.8 84.53 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.604 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.24 -15.03 56.79 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.521 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.45 -41.88 75.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.19 -45.55 87.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.446 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 ttp180 -58.53 -49.16 78.42 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.401 175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.686 ' HA ' HD12 ' A' ' 50' ' ' ILE . 77.8 ttt180 -56.79 -37.49 71.21 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.154 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.65 -43.63 98.49 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.3 -31.42 72.57 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.779 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 47' ' ' ARG . 81.5 mt -61.47 -53.12 52.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -61.35 -43.45 98.85 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 63.2 mt-10 -55.56 -49.02 73.82 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.076 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -73.85 -44.22 56.2 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.522 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.14 -41.51 97.16 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -62.25 -49.86 74.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.197 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -73.6 -25.05 60.15 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.814 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.84 -59.22 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 123.657 0.783 . . . . 0.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -62.0 -36.67 82.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -54.73 36.46 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.181 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.63 -31.65 68.67 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG23 ' CD2' ' A' ' 87' ' ' HIS . 12.4 mm -62.88 -43.07 98.67 Favored 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-O 122.386 1.088 . . . . 0.0 110.309 174.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -71.53 -38.17 71.09 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.257 -179.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.532 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 5.2 t70 -78.3 -25.28 46.53 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.036 0.446 . . . . 0.0 112.182 -176.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.58 67.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 7.3 mp -102.32 -28.73 12.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 117.854 -1.538 . . . . 0.0 113.245 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 25.0 mtmt 54.97 65.8 1.4 Allowed 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 122.759 1.266 . . . . 0.0 110.57 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' A' ' 65' ' ' LEU . 2.9 mppt? -79.97 -72.62 0.39 Allowed 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 112.794 -2.003 . . . . 0.0 109.915 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 7.6 m-20 -153.74 150.92 29.02 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.418 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -86.9 -29.45 22.13 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 t -61.64 -53.03 61.64 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.089 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -67.76 -32.44 73.03 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.347 177.663 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 11.8 t-160 -58.36 -46.5 86.17 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.551 0.532 . . . . 0.0 111.076 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 p -85.6 4.21 37.23 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.445 0.64 . . . . 0.0 112.35 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -126.72 18.03 7.39 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.476 1.131 . . . . 0.0 108.192 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 15.9 mt -71.51 115.04 10.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.421 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -77.94 149.68 34.14 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.9 ttmt -49.98 -47.5 52.77 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.73 -31.43 72.42 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.286 0.565 . . . . 0.0 111.251 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.02 -35.36 66.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.068 0.937 . . . . 0.0 108.879 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.7 mt -66.96 -49.55 72.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.525 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' VAL . 52.9 mt -59.96 -50.71 72.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.91 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.5 tt0 -59.75 -36.86 77.49 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.314 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.24 -39.69 93.04 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 m -66.95 -41.43 86.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.686 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.4 t -67.66 -49.65 68.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 109.93 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.5 mttm -61.7 -38.67 88.73 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.171 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.463 ' CD2' HG23 ' A' ' 61' ' ' ILE . 1.4 m-70 -66.21 -32.8 74.46 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.8 pp -66.97 -40.09 87.37 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.494 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -66.76 -34.39 77.73 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.67 178.297 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -55.33 -50.85 68.56 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 76.2 mt -62.75 -45.21 93.76 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.3 -21.16 63.7 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -115.22 -8.25 12.36 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.829 -0.748 . . . . 0.0 112.15 -176.204 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.31 -5.51 15.23 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 91' ' ' LEU . 8.3 mm-40 . . . . . 0 C--O 1.246 0.891 0 C-N-CA 118.1 -1.44 . . . . 0.0 107.249 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.4 tppp? -113.93 105.03 54.86 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 27' ' ' LYS . 1.4 Cg_endo -87.3 40.94 0.68 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.44 2.76 . . . . 0.0 111.66 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 70.6 -57.85 0.57 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.1 1.36 . . . . 0.0 113.085 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.9 p -115.02 -65.54 1.18 Allowed 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.91 86.22 0.52 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -165.08 17.26 0.05 OUTLIER 'General case' 0 C--O 1.255 1.393 0 C-N-CA 125.542 1.537 . . . . 0.0 109.783 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -175.46 147.87 0.89 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -100.89 130.94 46.97 Favored 'General case' 0 C--O 1.255 1.367 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.396 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 160.85 43.31 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.025 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -137.19 116.95 13.07 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' B' ' 43' ' ' GLU . 44.7 m -157.17 138.37 13.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 12.1 p -92.73 -21.46 19.94 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 122.053 0.93 . . . . 0.0 108.977 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -89.83 118.11 68.67 Favored Pre-proline 0 N--CA 1.417 -2.123 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.66 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -69.6 -29.13 25.15 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.269 1.979 . . . . 0.0 110.39 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.17 -41.55 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.776 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm -70.07 -40.17 75.21 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.529 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 14.2 pt-20 -71.82 -29.91 64.93 Favored 'General case' 0 C--O 1.2 -1.539 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.633 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -65.48 -46.96 77.73 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -58.99 -48.57 81.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.321 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.494 ' O ' HG13 ' B' ' 50' ' ' ILE . 34.6 ttm180 -62.72 -49.54 74.65 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.02 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 91.9 mtt180 -54.56 -48.01 72.57 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.714 0.406 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.25 82.42 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 123.483 0.489 . . . . 0.0 109.996 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -56.96 -42.35 80.0 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.494 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.4 mt -60.38 -58.72 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.085 0.554 . . . . 0.0 111.072 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -60.43 -42.87 96.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.127 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -71.7 -28.14 63.5 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -77.0 -31.9 56.79 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.483 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 5.0 tt -74.33 -37.25 63.61 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 123.417 0.687 . . . . 0.0 109.424 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -69.8 -44.39 70.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.71 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -66.53 -31.48 72.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.432 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.8 tt -59.48 -58.6 7.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.75 1.22 . . . . 0.0 110.734 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.655 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -61.57 -30.63 70.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.579 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 92.8 m -66.14 -52.03 52.34 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.648 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.67 -33.71 71.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.371 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.676 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.8 mm -63.44 -53.33 46.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 O-C-N 123.474 0.484 . . . . 0.0 110.793 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' B' ' 72' ' ' HIS . 2.1 tm? -62.08 -38.06 87.39 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.82 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.622 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 58.2 m-20 -73.6 -25.76 60.49 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.74 -22.65 31.88 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.636 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 17.0 mt -95.27 -38.08 10.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.326 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.622 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 11.1 mmpt? 61.2 61.98 1.47 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.855 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.532 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -86.07 -79.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.126 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.448 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 24.8 m-20 -157.85 149.64 21.87 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' B' ' 72' ' ' HIS . 16.5 p -87.15 -23.48 24.82 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.283 0.563 . . . . 0.0 111.272 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 54.7 m -69.11 -43.79 73.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 12.8 ptp180 -63.32 -38.07 89.72 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' B' ' 69' ' ' SER . 28.4 t-80 -52.32 -38.63 59.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.096 0.959 . . . . 0.0 111.11 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.5 t -85.45 1.41 48.89 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.727 0.775 . . . . 0.0 110.877 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -34.95 7.04 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 47.3 mt -33.27 109.04 0.06 Allowed 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 126.061 2.1 . . . . 0.0 114.22 -173.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 41.1 mt-10 -92.47 170.57 9.66 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.888 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.451 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.1 ttmt -56.78 -45.95 81.81 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.06 72.43 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.384 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.571 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 3.0 m-20 -74.48 -52.16 12.76 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 122.078 0.942 . . . . 0.0 108.652 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' B' ' 58' ' ' LYS . 83.2 mt -55.72 -52.13 51.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 113.34 -1.754 . . . . 0.0 111.671 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.0 mp -54.21 -52.73 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 123.497 0.498 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 24.1 tt0 -64.35 -36.92 85.71 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.544 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.532 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 23.9 tpp -63.87 -35.63 81.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.149 0.976 . . . . 0.0 109.321 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -74.03 -42.82 59.73 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.583 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 81' ' ' LEU . 76.3 t -64.24 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.264 0.554 . . . . 0.0 109.6 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 72.4 mttt -63.25 -37.47 87.36 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -70.61 -26.92 63.72 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.478 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.79 -38.0 79.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.9 mmt180 -61.01 -48.96 79.39 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.671 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.03 -55.4 31.38 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.473 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 91' ' ' LEU . 82.8 mt -64.66 -33.87 76.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.875 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -113.37 -1.05 14.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.3 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.47 28.0 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.454 0.702 . . . . 0.0 110.682 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 93' ' ' ARG . 23.4 mm-40 . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -138.44 112.09 8.48 Favored Pre-proline 0 C--O 1.244 0.797 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.51 139.83 26.17 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.996 1.798 . . . . 0.0 110.926 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -102.36 88.25 3.24 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-O 121.841 0.829 . . . . 0.0 109.793 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.4 m -144.0 99.88 3.47 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 74.4 -46.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.425 1.49 . . . . 0.0 112.163 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m 64.46 101.43 0.04 OUTLIER 'General case' 0 C--O 1.241 0.642 0 CA-C-O 122.471 1.129 . . . . 0.0 113.974 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -24.28 39.35 Favored 'General case' 0 N--CA 1.424 -1.758 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.702 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -71.1 121.57 18.53 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 172.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -92.93 87.56 5.84 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.986 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -103.47 103.98 14.01 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -82.33 98.13 8.67 Favored 'General case' 0 C--N 1.271 -2.828 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.519 -174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.0 m -124.81 63.56 1.13 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 9.8 mmpt? -105.49 118.55 55.33 Favored Pre-proline 0 N--CA 1.417 -2.076 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.302 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 27.3 Cg_endo -63.98 -40.19 28.77 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.748 2.298 . . . . 0.0 110.102 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 10.2 tt -66.47 -45.37 89.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.024 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.9 mmm -67.85 -39.73 83.76 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.16 -21.43 50.23 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.241 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 40' ' ' PRO . 52.1 mtmt -74.12 -38.85 63.68 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.449 -0.501 . . . . 0.0 109.88 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 66.0 mtp180 -64.86 -44.76 88.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.789 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.52 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.4 ttm180 -59.51 -55.52 33.51 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.275 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HA ' HD12 ' A' ' 50' ' ' ILE . 29.9 mtm180 -54.42 -43.33 71.44 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.607 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.69 -54.68 43.38 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.496 0.497 . . . . 0.0 109.975 176.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' CB ' ' HB1' ' B' ' 78' ' ' ALA . 60.0 mtp180 -61.22 -34.16 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.664 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.4 mt -59.09 -55.51 23.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -61.17 -46.4 90.64 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.713 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 17.8 mm-40 -58.53 -48.0 82.3 Favored 'General case' 0 C--O 1.249 1.067 0 O-C-N 123.565 0.541 . . . . 0.0 111.948 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 m -76.89 -36.94 56.36 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.9 tt -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.57 0.7 . . . . 0.0 109.445 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.8 m -66.51 -45.74 78.55 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.451 -178.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.37 -30.44 68.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.7 -56.94 15.04 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.22 1.008 . . . . 0.0 110.522 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.06 -36.02 80.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.187 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.7 m -66.94 -47.85 70.4 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.447 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -69.49 -34.99 75.14 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.436 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mm -63.49 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--O 1.29 3.212 0 CA-C-O 122.089 0.947 . . . . 0.0 110.795 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD22 ' HD2' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -60.94 -51.29 69.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.269 -179.141 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.702 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 20.6 t70 -69.83 -42.82 73.11 Favored 'General case' 0 C--O 1.169 -3.137 0 O-C-N 124.183 0.927 . . . . 0.0 111.4 -177.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -54.16 -31.54 52.87 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 120.817 0.342 . . . . 0.0 111.746 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 64' ' ' ALA . 6.6 mp -115.58 -8.53 12.11 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.12 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.702 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 36.7 mmtt 58.69 56.49 4.17 Favored 'General case' 0 CA--C 1.491 -1.324 0 C-N-CA 124.416 1.086 . . . . 0.0 110.309 175.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HD2' HD22 ' A' ' 62' ' ' LEU . 47.6 mttp -62.93 -82.88 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 113.486 -1.688 . . . . 0.0 112.029 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -179.08 142.97 0.2 Allowed 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 p -78.7 -18.39 54.4 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.354 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -43.21 66.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.603 ' NH1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -80.63 -3.21 49.64 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.503 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -84.66 -22.27 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 170.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.2 t -90.74 -25.99 19.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.356 1.074 . . . . 0.0 109.423 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 35.4 2.76 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.634 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.744 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 7.0 tp -101.41 102.66 13.5 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.953 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -79.27 153.09 30.17 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.85 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.7 ttmp? -51.78 -47.81 64.02 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.44 71.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 83' ' ' MET . 16.3 t70 -76.05 -35.79 59.3 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.744 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.1 mt -67.25 -52.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.923 -1.489 . . . . 0.0 110.979 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 85' ' ' VAL . 72.8 mt -60.03 -52.63 64.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 9.0 tt0 -55.98 -39.9 72.51 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.711 0.632 . . . . 0.0 112.012 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 36.4 tpp -62.25 -52.59 63.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -173.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -61.06 -46.49 90.44 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.7 t -63.81 -45.51 96.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-O 121.909 0.861 . . . . 0.0 110.595 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.608 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 79.7 mttt -72.29 -23.96 61.27 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-O 121.711 0.767 . . . . 0.0 111.426 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.16 -26.04 55.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.024 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.1 tt -61.78 -43.54 98.65 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 4.6 mmt180 -60.37 -45.7 92.58 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.837 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 85.7 m-20 -59.67 -41.73 91.32 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.562 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -38.41 61.31 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.208 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.24 -19.67 64.75 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.58 -11.98 44.0 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.251 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.06 -21.96 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.184 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.487 HE22 HD22 ' B' ' 91' ' ' LEU . 20.2 mt-30 . . . . . 0 C--N 1.3 -1.556 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.845 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 CA--C 1.503 -0.853 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -153.34 153.69 29.67 Favored Pre-proline 0 C--N 1.301 -1.527 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.57 -51.1 10.65 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.966 2.444 . . . . 0.0 112.812 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.9 142.33 45.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.77 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p 64.3 22.33 12.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.442 1.497 . . . . 0.0 112.408 -174.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.12 157.06 17.93 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 173.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -52.38 126.16 18.34 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 123.761 0.663 . . . . 0.0 111.146 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -81.83 16.82 1.69 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.36 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 m80 74.95 126.95 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.464 1.506 . . . . 0.0 113.442 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 53.01 68.49 0.83 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.766 1.226 . . . . 0.0 110.122 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.538 ' HG2' ' OE1' ' B' ' 43' ' ' GLU . 24.0 tptm -132.73 105.23 7.04 Favored 'General case' 0 N--CA 1.409 -2.506 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.076 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 43.8 m 65.92 -76.44 0.05 OUTLIER 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.257 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -165.92 -68.77 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.375 0.607 . . . . 0.0 109.661 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.498 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 7.8 mmpt? -99.07 135.21 20.9 Favored Pre-proline 0 C--N 1.287 -2.112 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.649 -175.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -54.42 -45.12 43.32 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 123.394 2.729 . . . . 0.0 111.418 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.6 -40.83 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.339 0.59 . . . . 0.0 111.009 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -69.68 -38.0 76.85 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.621 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.538 ' OE1' ' HG2' ' B' ' 36' ' ' LYS . 1.0 OUTLIER -67.29 -36.49 81.64 Favored 'General case' 0 C--O 1.19 -2.055 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -67.67 -42.01 82.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 123.781 0.675 . . . . 0.0 112.099 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -59.18 -49.28 78.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.696 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.54 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.4 ttm180 -68.39 -45.68 72.04 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.342 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.5 ttt180 -56.57 -44.71 81.26 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.106 1.363 . . . . 0.0 110.617 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -55.8 -52.93 62.27 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.758 0.661 . . . . 0.0 109.314 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -63.15 -32.97 74.48 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.889 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.8 mt -59.9 -55.78 21.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -60.8 -45.17 95.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.744 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 17.6 mm-40 -59.27 -43.08 92.51 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.946 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 29.7 m -77.33 -33.51 55.47 Favored 'General case' 0 N--CA 1.418 -2.053 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.468 -178.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.0 tt -72.48 -35.4 68.18 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -176.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.3 p -69.64 -46.45 66.14 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.039 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.9 pt20 -68.94 -31.15 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.116 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -53.06 -59.45 4.52 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.283 1.433 . . . . 0.0 107.607 175.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' B' ' 58' ' ' LYS . 4.1 tmmm? -59.17 -45.72 90.27 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.132 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 51.5 m -59.31 -51.4 70.12 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 123.447 0.467 . . . . 0.0 112.032 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.59 -38.29 83.81 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.273 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.513 HD11 HG23 ' B' ' 84' ' ' THR . 29.5 mm -65.44 -36.4 77.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 122.052 0.93 . . . . 0.0 111.236 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -42.71 72.59 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.303 -0.873 . . . . 0.0 109.234 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.601 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 8.6 t70 -77.6 -30.5 52.46 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.43 -30.69 53.55 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.668 -0.645 . . . . 0.0 111.312 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.408 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.0 mp -100.02 -32.31 11.01 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.927 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.601 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.0 mtmt 50.1 69.72 0.58 Allowed 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 123.083 1.421 . . . . 0.0 111.992 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -81.63 -75.41 0.29 Allowed 'General case' 0 N--CA 1.414 -2.233 0 CA-C-N 112.049 -2.341 . . . . 0.0 111.86 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 179.84 155.16 0.57 Allowed 'General case' 0 CA--C 1.473 -1.994 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' B' ' 72' ' ' HIS . 50.5 m -84.42 -20.3 32.04 Favored 'General case' 0 N--CA 1.408 -2.56 0 O-C-N 123.859 0.724 . . . . 0.0 111.721 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 16.4 m -67.75 -49.78 60.7 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -3.79 43.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' B' ' 69' ' ' SER . 10.3 t-160 -84.13 -31.43 25.22 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -86.8 -4.7 59.21 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 122.472 1.129 . . . . 0.0 109.886 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.06 21.72 11.72 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 123.258 1.504 . . . . 0.0 107.143 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.588 ' HG ' ' CG1' ' B' ' 80' ' ' ILE . 10.9 tp -99.41 98.22 9.17 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.147 -1.388 . . . . 0.0 107.474 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -86.56 163.66 17.34 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.746 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 50' ' ' ILE . 27.2 ttpt -51.13 -42.17 60.55 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 111.62 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 49' ' ' ARG . . . -58.92 -37.8 77.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.485 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.06 -50.87 13.55 Favored 'General case' 0 CA--C 1.487 -1.445 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.869 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.588 ' CG1' ' HG ' ' B' ' 75' ' ' LEU . 70.8 mt -51.72 -48.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.721 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.482 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.1 mp -55.65 -53.44 56.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.719 0.408 . . . . 0.0 111.423 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 8.4 tt0 -60.54 -39.07 86.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.419 0.628 . . . . 0.0 110.155 -173.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 14.5 m -77.52 -40.07 44.0 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.159 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 56.3 t -67.57 -38.03 79.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.84 0.829 . . . . 0.0 109.018 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.8 mttt -68.27 -35.7 78.28 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.077 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' B' ' 91' ' ' LEU . 77.3 t60 -67.91 -26.72 66.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 29.1 tp -66.13 -42.45 89.09 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 6.7 mmt180 -59.8 -46.55 88.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.29 -50.98 71.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.374 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 95' ' ' GLN . 85.8 mt -72.21 -27.4 62.52 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -70.24 -29.17 65.91 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 4.2 ppt_? -117.96 13.37 13.95 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.73 -40.2 79.05 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.303 1.049 . . . . 0.0 110.142 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.28 -2.451 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.33 175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm 70.02 117.84 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.406 1.082 . . . . 0.0 113.808 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.58 95.79 1.02 Allowed 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 121.985 1.79 . . . . 0.0 108.749 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -89.7 -73.57 0.51 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 t -178.21 14.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.22 112.61 7.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.387 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -91.6 102.42 15.06 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.97 106.21 3.57 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.824 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -92.6 -79.69 0.39 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.335 -172.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -115.31 -45.21 2.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.685 0.755 . . . . 0.0 109.099 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -93.49 82.04 4.4 Favored 'General case' 0 N--CA 1.41 -2.462 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -81.38 -4.76 56.7 Favored 'General case' 0 C--N 1.258 -3.373 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.448 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 m 60.95 23.7 13.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.086 0.954 . . . . 0.0 110.995 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -84.93 111.01 32.44 Favored Pre-proline 0 N--CA 1.418 -2.074 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 21.2 Cg_endo -60.54 -37.24 81.89 Favored 'Trans proline' 0 CA--C 1.506 -0.91 0 C-N-CA 123.405 2.737 . . . . 0.0 111.168 -173.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.2 tt -77.36 -44.98 30.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.446 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.05 -42.1 85.37 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 120.563 0.221 . . . . 0.0 111.51 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 pt-20 -73.72 -25.99 60.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.436 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -73.55 -40.9 63.61 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -60.21 -42.12 94.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.286 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.93 -46.26 68.71 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.38 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.4 ttm180 -62.58 -39.74 94.68 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 123.807 0.843 . . . . 0.0 112.124 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.63 -48.73 80.51 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -61.36 -39.31 90.16 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 124.069 0.855 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.2 mt -59.12 -53.93 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 122.742 0.417 . . . . 0.0 111.157 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -65.77 -45.81 81.11 Favored 'General case' 0 CA--C 1.477 -1.837 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 9.2 pt-20 -66.52 -37.8 85.8 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 123.75 0.657 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -70.17 -48.67 56.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -60.26 -37.67 81.15 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 109.722 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.3 m -69.3 -42.39 75.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.214 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.43 -29.48 61.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.714 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.9 tm? -52.5 -59.08 4.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.617 1.967 . . . . 0.0 109.183 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -64.4 -36.4 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.967 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.0 m -61.16 -53.03 62.06 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.037 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -34.47 78.39 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 84' ' ' THR . 37.8 mm -64.83 -51.49 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.993 0.425 . . . . 0.0 110.631 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -23.55 62.35 Favored 'General case' 0 C--O 1.199 -1.57 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.22 -29.93 31.09 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.88 0.371 . . . . 0.0 111.595 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.14 27.96 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 87' ' ' HIS . 20.2 mt -99.68 -34.39 10.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.069 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt 53.41 45.16 28.92 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.962 0.905 . . . . 0.0 111.927 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.58 -70.19 0.24 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.543 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 35.2 t70 -167.49 137.19 2.77 Favored 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.6 p -86.91 -19.76 28.37 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-O 121.34 0.59 . . . . 0.0 111.741 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.543 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 49.6 m -69.94 -44.57 69.29 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.454 HH11 ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -75.87 -12.98 60.26 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.891 -0.506 . . . . 0.0 110.512 176.214 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.779 ' HA ' HD12 ' A' ' 75' ' ' LEU . 11.2 t-160 -77.3 -18.14 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.817 0.818 . . . . 0.0 108.829 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -92.54 2.3 56.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.636 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -135.03 21.61 3.49 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.919 1.343 . . . . 0.0 107.796 177.667 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -90.21 106.05 18.23 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.443 177.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.31 160.16 28.02 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.633 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.6 ttmp? -48.82 -46.88 42.56 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.557 0.743 . . . . 0.0 111.965 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -60.47 -35.83 76.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.559 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -79.68 -36.63 37.37 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.891 -171.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.97 -47.07 89.61 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.802 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 69.6 mt -57.94 -48.85 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 30.7 tt0 -59.83 -41.07 90.52 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.781 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 tpp -63.79 -35.08 79.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.728 0.775 . . . . 0.0 109.02 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 61' ' ' ILE . 8.4 m -72.45 -43.81 63.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.325 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 81' ' ' LEU . 50.6 t -62.24 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.474 0.654 . . . . 0.0 109.844 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.2 mtmt -63.21 -44.06 96.37 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.664 ' CD2' HD21 ' A' ' 65' ' ' LEU . 11.8 t-160 -66.47 -28.91 68.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.06 178.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.32 -45.69 92.09 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -69.51 -29.8 67.5 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.745 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 93.5 m-20 -62.57 -44.09 97.2 Favored 'General case' 0 CA--C 1.49 -1.344 0 CA-C-O 121.054 0.454 . . . . 0.0 110.29 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 92.6 mt -68.41 -43.89 76.21 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.412 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.67 -24.78 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 5.4 ppt_? -89.04 -8.53 53.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.986 0.422 . . . . 0.0 111.501 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.93 -11.24 59.81 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.822 0.82 . . . . 0.0 110.851 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.418 HE22 HD22 ' B' ' 91' ' ' LEU . 21.4 mt-30 . . . . . 0 N--CA 1.418 -2.057 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.582 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 17.2 tpt . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 119.799 -0.144 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.69 85.34 0.15 Allowed Pre-proline 0 C--N 1.347 0.458 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -62.53 111.04 1.2 Allowed 'Trans proline' 0 C--O 1.239 0.573 0 C-N-CA 122.723 2.282 . . . . 0.0 113.57 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -144.68 -66.0 0.34 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -158.09 134.09 9.25 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.53 87.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 111.378 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.8 p -89.76 36.47 0.85 Allowed 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.213 0.53 . . . . 0.0 110.212 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' B' ' 34' ' ' HIS . 8.3 pt-20 -57.37 -52.36 65.67 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.077 0.951 . . . . 0.0 112.598 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.479 ' H ' ' HG3' ' B' ' 33' ' ' GLU . 58.8 m80 -111.05 164.61 12.65 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 66.32 86.05 0.14 Allowed 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -169.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -65.54 102.11 0.68 Allowed 'General case' 0 CA--C 1.492 -1.257 0 CA-C-O 122.598 1.19 . . . . 0.0 109.593 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.5 p -111.96 8.09 20.15 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.671 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m 66.96 -169.51 0.2 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -105.47 122.86 41.37 Favored Pre-proline 0 C--N 1.29 -2.0 0 O-C-N 121.469 -0.769 . . . . 0.0 110.768 176.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.492 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 23.0 Cg_endo -61.67 -37.03 71.81 Favored 'Trans proline' 0 CA--C 1.511 -0.657 0 C-N-CA 123.533 2.822 . . . . 0.0 111.373 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.589 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 10.0 tt -71.68 -45.61 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.806 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 24.7 mmt -65.33 -41.44 93.94 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.29 -27.4 64.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -75.98 -37.16 58.84 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 62.8 mtp180 -64.73 -42.24 95.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.314 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.591 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.7 ttm180 -60.59 -53.01 62.68 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' B' ' 50' ' ' ILE . 39.3 ttm180 -52.69 -47.71 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.804 1.242 . . . . 0.0 111.562 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.29 -50.62 72.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.016 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -61.98 -31.83 72.23 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.32 0.387 . . . . 0.0 111.781 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.591 HG13 ' O ' ' B' ' 46' ' ' ARG . 88.5 mt -60.46 -52.63 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -61.17 -48.14 82.95 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 25.7 mm-40 -60.52 -41.23 93.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.2 m -77.32 -35.97 54.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.973 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ILE . 1.0 OUTLIER -72.05 -35.46 69.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.488 0.661 . . . . 0.0 109.381 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.0 p -69.87 -49.68 49.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.299 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.82 -32.98 74.92 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.731 0.301 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.491 HD21 ' OG1' ' B' ' 84' ' ' THR . 7.8 tt -58.08 -58.5 8.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.73 -43.8 65.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.639 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.2 m -59.31 -55.41 35.17 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.585 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.03 -32.44 67.13 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' B' ' 83' ' ' MET . 23.7 mm -68.62 -50.41 56.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.39 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.93 -25.11 66.99 Favored 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.87 -32.45 61.89 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 -38.55 21.0 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 121.075 0.464 . . . . 0.0 109.978 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 13.9 mt -88.2 -38.25 15.44 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 120.211 -0.595 . . . . 0.0 109.923 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 49.78 68.31 0.76 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.713 1.258 . . . . 0.0 111.178 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.581 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 93.2 mttt -66.32 -57.11 8.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.777 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.409 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.8 t70 177.44 151.91 0.22 Allowed 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -82.74 -28.17 30.62 Favored 'General case' 0 N--CA 1.399 -2.994 0 O-C-N 123.617 0.573 . . . . 0.0 110.248 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.2 m -70.96 -36.06 72.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.382 0.61 . . . . 0.0 110.222 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -87.16 -6.56 58.58 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 -178.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -70.47 -22.71 62.64 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 21.5 m -88.29 14.98 8.31 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.489 0.661 . . . . 0.0 110.879 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.602 ' HE2' ' O ' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -143.64 84.47 1.8 Allowed 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.4 mm? -122.82 121.98 37.55 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 121.608 0.718 . . . . 0.0 110.684 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.449 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 33.8 mt-10 -90.81 149.44 21.98 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 ttmt -52.62 -45.0 66.41 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.172 0.51 . . . . 0.0 110.671 177.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -30.28 69.99 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.303 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' B' ' 83' ' ' MET . 11.2 t70 -76.97 -41.28 43.66 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.446 HG22 HD22 ' B' ' 57' ' ' LEU . 53.6 mt -64.94 -51.86 61.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.046 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 86.6 mt -56.0 -49.28 74.08 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 124.043 0.839 . . . . 0.0 109.571 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.5 tt0 -61.67 -39.26 90.76 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.377 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.581 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 72.8 mtm -56.89 -45.96 82.23 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.491 ' OG1' HD21 ' B' ' 57' ' ' LEU . 0.1 OUTLIER -59.11 -48.72 80.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.406 178.401 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.2 t -64.41 -44.51 97.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.894 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -67.28 -39.38 86.04 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 122.057 -0.402 . . . . 0.0 111.273 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 6.0 tt -60.96 -46.41 90.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -58.05 -46.49 85.28 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -55.68 -51.68 66.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.198 0.936 . . . . 0.0 111.075 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 94.8 mt -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.553 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -72.86 -14.45 61.5 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.788 0.328 . . . . 0.0 111.716 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 11.17 14.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 0.0 109.994 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.28 27.95 3.07 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.259 1.597 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -176.104 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 CA--C 1.502 -0.866 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.68 155.63 65.22 Favored Pre-proline 0 C--N 1.311 -1.076 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.23 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.153 2.569 . . . . 0.0 111.762 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -85.51 26.28 0.95 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.251 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -64.01 -27.29 69.02 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.34 83.72 5.51 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 m -69.15 -15.15 63.35 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.3 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.94 -30.64 71.72 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.287 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -94.12 98.43 10.98 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -77.5 163.18 26.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.231 0.538 . . . . 0.0 111.365 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.71 107.54 7.5 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -80.41 -175.57 5.22 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.724 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 m 71.9 179.55 0.23 Allowed 'General case' 0 C--O 1.251 1.157 0 C-N-CA 124.078 0.951 . . . . 0.0 111.427 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -97.28 126.08 43.18 Favored Pre-proline 0 N--CA 1.422 -1.842 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.43 178.416 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 12.5 Cg_endo -58.38 -36.07 97.98 Favored 'Trans proline' 0 C--O 1.209 -0.973 0 C-N-CA 123.145 2.563 . . . . 0.0 112.167 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -73.86 -45.25 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.806 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm -66.31 -44.06 84.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 12.0 pt-20 -75.61 -18.94 59.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.261 -178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 39.4 ttpt -70.69 -43.25 69.44 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -62.96 -41.16 99.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.366 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.5 ttp180 -60.77 -54.2 48.04 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.224 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.8 ttp180 -58.8 -39.03 79.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.792 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -60.81 -46.75 89.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -60.36 -37.12 79.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.779 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 47' ' ' ARG . 79.3 mt -55.26 -56.87 9.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -59.18 -45.91 89.8 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.633 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 23.7 mm-40 -59.0 -37.99 78.15 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.8 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m -76.45 -44.13 36.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.459 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.41 -36.95 85.5 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.209 0.528 . . . . 0.0 109.738 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -61.22 -50.96 70.96 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.378 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -72.97 -29.17 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.54 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -58.49 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.117 0.967 . . . . 0.0 110.145 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -60.82 -35.5 76.66 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.156 0.285 . . . . 0.0 111.168 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.47 -52.97 59.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.404 0.44 . . . . 0.0 111.07 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.55 -32.19 69.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.52 -52.05 45.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.276 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HG ' ' ND1' ' A' ' 72' ' ' HIS . 0.6 OUTLIER -60.91 -33.19 72.76 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.341 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.642 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 1.3 t70 -80.78 -28.34 36.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.343 -176.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.18 -34.33 37.6 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 118.857 -1.137 . . . . 0.0 111.174 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 65' ' ' LEU . 4.7 mp -92.57 -24.27 18.78 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.425 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.642 ' HE3' ' HA ' ' A' ' 63' ' ' ASP . 9.7 mmpt? 59.18 64.06 1.46 Allowed 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 109.803 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 70.0 mmtt -71.47 -78.99 0.07 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 112.825 -1.988 . . . . 0.0 111.273 -177.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.95 153.23 0.62 Allowed 'General case' 0 CA--C 1.466 -2.286 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -77.01 -28.83 55.15 Favored 'General case' 0 N--CA 1.403 -2.822 0 O-C-N 123.771 0.669 . . . . 0.0 111.236 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 t -70.12 -40.75 74.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -82.05 -3.16 53.99 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -178.389 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' ND1' ' HG ' ' A' ' 62' ' ' LEU . 3.4 t-160 -78.4 -40.76 35.09 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 170.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -83.31 -1.14 52.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.86 1.314 . . . . 0.0 110.46 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -122.64 58.95 1.06 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 122.86 1.314 . . . . 0.0 107.587 175.632 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 13.8 mt -121.66 108.03 13.06 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 112.718 -2.037 . . . . 0.0 110.182 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.2 mm-40 -78.8 152.19 31.51 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.0 ttmt -49.0 -44.5 41.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.36 0.6 . . . . 0.0 112.222 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -64.8 -28.87 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.198 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 -34.8 42.14 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 121.91 0.862 . . . . 0.0 108.699 -174.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 53.3 mt -72.68 -50.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.251 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 75.1 mt -57.55 -52.93 63.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.052 0.453 . . . . 0.0 110.049 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 22.4 tt0 -60.5 -35.49 76.06 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.289 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.494 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 2.1 tpt -69.18 -33.6 73.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.672 0.748 . . . . 0.0 109.818 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.1 m -72.22 -42.3 65.91 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.728 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.2 t -68.65 -43.58 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.729 0.776 . . . . 0.0 109.923 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.2 mttt -67.13 -30.33 70.3 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 121.972 -0.455 . . . . 0.0 111.348 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -72.14 -29.52 64.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.264 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.6 pp -66.84 -35.42 80.01 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.306 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -58.75 -47.59 84.14 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -56.12 -52.17 65.31 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 123.981 0.8 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.5 mt -70.92 -21.32 62.38 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -75.53 -40.34 57.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 118.013 0.37 . . . . 0.0 110.777 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.91 6.73 40.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.061 0.458 . . . . 0.0 112.009 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.11 -7.38 55.67 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 111.149 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.891 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.75 153.58 93.2 Favored Pre-proline 0 C--O 1.247 0.947 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.305 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -68.76 86.74 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 122.136 1.891 . . . . 0.0 111.114 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -72.34 88.67 1.19 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.942 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m -142.88 70.22 1.32 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -179.67 -168.33 0.11 Allowed 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 111.843 -2.435 . . . . 0.0 104.717 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 22.5 m -65.73 -80.56 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.271 0 O-C-N 123.485 0.491 . . . . 0.0 111.843 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -150.85 19.03 0.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.959 0.885 . . . . 0.0 109.634 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -162.91 179.83 7.3 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -75.02 114.15 13.17 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -79.08 89.18 4.8 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-O 122.791 1.281 . . . . 0.0 108.859 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.7 m -149.55 30.97 0.74 Allowed 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 113.645 -1.616 . . . . 0.0 108.385 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.5 m -66.26 -21.29 66.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.264 0.554 . . . . 0.0 112.35 -172.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.88 121.81 61.83 Favored Pre-proline 0 C--N 1.298 -1.662 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.43 ' HA ' ' HG2' ' B' ' 43' ' ' GLU . 8.7 Cg_endo -63.92 -31.74 66.7 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.367 2.045 . . . . 0.0 110.563 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tt -68.27 -40.64 82.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.623 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.0 mmt -72.18 -41.59 66.83 Favored 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.42 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.557 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 4.8 pt-20 -72.21 -26.11 61.92 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.456 -0.897 . . . . 0.0 110.186 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.57 -38.77 87.79 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -66.03 -40.93 91.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.345 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.598 ' O ' HG13 ' B' ' 50' ' ' ILE . 28.7 ttm180 -57.71 -52.87 63.69 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 58.8 mtt180 -53.85 -46.05 71.13 Favored 'General case' 0 CA--C 1.502 -0.87 0 C-N-CA 123.065 0.546 . . . . 0.0 111.68 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.611 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.14 -51.43 68.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -62.99 -35.32 79.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.664 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.598 HG13 ' O ' ' B' ' 46' ' ' ARG . 85.2 mt -61.3 -53.42 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.159 0.584 . . . . 0.0 109.869 176.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -61.09 -45.68 93.7 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.171 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 45.7 mt-10 -60.3 -42.96 96.62 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.152 0.907 . . . . 0.0 112.178 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.8 p -75.08 -43.03 55.47 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.303 -175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.59 -38.71 91.2 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -59.76 -57.03 14.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.467 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.73 -25.69 63.05 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.326 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 123.53 0.732 . . . . 0.0 109.914 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.75 -34.69 78.45 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.07 0.462 . . . . 0.0 110.672 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.5 m -67.22 -45.75 75.89 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.372 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.48 -36.4 68.42 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.166 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.04 -49.2 84.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 120.833 0.349 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.89 -26.34 66.83 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.62 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.423 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.9 t70 -80.92 -28.45 35.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.418 0.627 . . . . 0.0 110.976 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -38.39 23.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 122.026 -0.421 . . . . 0.0 110.423 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.7 mp -90.89 -37.8 13.32 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.011 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.6 mtmt 53.55 67.37 1.01 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 122.539 1.161 . . . . 0.0 112.048 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.0 -70.84 0.53 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.782 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -171.31 143.86 1.92 Allowed 'General case' 0 CA--C 1.476 -1.88 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.7 m -83.37 -19.64 35.71 Favored 'General case' 0 N--CA 1.408 -2.561 0 O-C-N 123.458 0.473 . . . . 0.0 109.939 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -66.73 -33.61 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.781 0.801 . . . . 0.0 109.432 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -92.12 -6.35 50.99 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.04 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.439 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.6 t-160 -82.85 -42.88 17.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.032 0.933 . . . . 0.0 108.53 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -74.21 3.91 6.47 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.615 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -129.62 16.46 5.9 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 122.369 1.08 . . . . 0.0 108.868 179.49 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 30.9 mt -73.83 121.5 20.98 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.083 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.505 ' HB2' ' OD2' ' B' ' 79' ' ' ASP . 76.9 mm-40 -93.0 160.13 15.01 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.158 175.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.3 ttmt -51.22 -47.2 62.39 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 123.767 0.827 . . . . 0.0 112.015 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.7 68.83 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.072 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' B' ' 76' ' ' GLU . 22.9 m-20 -78.76 -44.49 23.21 Favored 'General case' 0 CA--C 1.485 -1.556 0 CA-C-O 121.639 0.733 . . . . 0.0 109.479 -174.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.442 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.2 mt -62.88 -51.46 71.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.363 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.81 -52.71 59.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 123.657 0.598 . . . . 0.0 110.96 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.6 tt0 -59.47 -41.58 90.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.117 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 42.5 ttm -64.7 -35.28 80.54 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.559 0.695 . . . . 0.0 110.089 -172.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 11.3 m -70.64 -42.78 70.4 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.073 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 60.3 t -65.64 -43.41 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 109.79 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -62.43 -40.88 98.01 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.241 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' B' ' 65' ' ' LEU . 68.7 t60 -63.54 -34.14 77.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.79 0.329 . . . . 0.0 110.235 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 20.8 tp -55.66 -47.66 76.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' B' ' 86' ' ' LYS . 0.0 OUTLIER -65.39 -38.91 91.43 Favored 'General case' 0 CA--C 1.496 -1.107 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.282 178.612 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -57.6 -50.71 72.24 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.699 0.624 . . . . 0.0 110.223 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 96.7 mt -67.09 -30.42 70.44 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.812 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.03 -18.77 59.11 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.93 5.09 14.98 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.022 -0.424 . . . . 0.0 111.563 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.97 -11.75 60.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.583 0.706 . . . . 0.0 110.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.413 -2.275 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -115.5 101.46 54.27 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.05 151.79 14.14 Favored 'Trans proline' 0 N--CA 1.445 -1.333 0 C-N-CA 122.056 1.837 . . . . 0.0 112.098 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -101.41 -4.58 26.65 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.657 0.742 . . . . 0.0 110.0 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -84.17 97.9 9.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.67 97.72 8.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.338 0.59 . . . . 0.0 110.132 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -109.93 152.17 26.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.381 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 55.17 81.79 0.11 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.557 1.143 . . . . 0.0 113.766 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -88.87 91.63 8.9 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 35' ' ' ARG . 25.3 mmt180 -113.43 117.17 30.98 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.82 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HD3' ' OE1' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -104.91 147.04 28.19 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.074 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -130.97 -166.76 1.74 Allowed 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.2 t -87.28 -30.53 20.82 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.5 mmpt? -105.79 134.77 19.57 Favored Pre-proline 0 C--N 1.296 -1.728 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.361 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -64.0 -37.1 45.23 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 122.689 2.26 . . . . 0.0 110.364 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 6.9 tt -65.5 -44.75 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.45 -43.98 95.82 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.653 ' OE1' ' HD3' ' A' ' 36' ' ' LYS . 12.9 pt-20 -72.23 -24.55 61.4 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.799 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -75.26 -46.15 35.52 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 45.2 mtp180 -64.49 -41.26 96.57 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.014 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.562 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.7 ttm180 -58.69 -56.94 15.67 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.227 176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.506 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.8 ttt180 -60.84 -42.62 98.15 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.172 0.589 . . . . 0.0 111.841 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.1 -50.24 74.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 123.637 0.585 . . . . 0.0 109.527 177.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -67.43 -29.07 68.45 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.1 mt -59.73 -53.27 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -65.42 -47.32 76.63 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.126 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 33.5 mt-10 -63.86 -37.02 85.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 m -77.3 -36.01 54.48 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.12 -32.97 69.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.887 0.851 . . . . 0.0 108.956 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -72.73 -43.66 62.68 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.166 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 11.4 pt20 -68.56 -31.57 70.88 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.525 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.63 -58.72 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.201 1.0 . . . . 0.0 110.524 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -60.75 -32.48 71.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.879 0.371 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -66.48 -53.24 37.42 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.716 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 83.3 mt -67.05 -39.82 87.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.397 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 35.1 mm -59.97 -54.06 39.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.235 0.541 . . . . 0.0 110.581 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp -68.08 -26.18 65.7 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.046 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -81.63 -25.65 35.46 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.054 0.454 . . . . 0.0 111.092 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.02 -34.62 24.27 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.832 0.825 . . . . 0.0 109.674 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 17.6 mt -93.23 -38.19 11.67 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.725 -174.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 51.26 65.05 1.6 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-O 122.337 1.065 . . . . 0.0 111.125 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -86.1 -80.16 0.24 Allowed 'General case' 0 N--CA 1.414 -2.273 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.141 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.54 131.92 12.9 Favored 'General case' 0 CA--C 1.486 -1.517 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -79.99 -15.73 56.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.958 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -70.95 -33.31 70.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.866 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -86.95 -20.17 27.71 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.269 0.557 . . . . 0.0 109.967 176.59 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.437 ' HA ' HD12 ' A' ' 75' ' ' LEU . 40.3 t-80 -71.53 145.46 49.1 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 171.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m 72.2 1.15 3.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.185 0.993 . . . . 0.0 111.497 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.613 ' HE3' ' HA ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -131.32 21.48 4.79 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 11.7 mt -93.9 116.13 28.56 Favored 'General case' 0 N--CA 1.414 -2.257 0 CA-C-N 112.588 -2.096 . . . . 0.0 109.184 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.87 153.89 28.74 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.4 ttmt -49.61 -50.18 43.81 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.3 0.64 . . . . 0.0 112.268 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.0 69.22 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.926 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -40.12 30.72 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.49 -0.777 . . . . 0.0 108.99 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.0 mt -67.73 -47.82 78.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.305 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 82.3 mt -53.79 -52.91 58.75 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.754 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 23.1 tt0 -63.04 -34.8 78.35 Favored 'General case' 0 C--O 1.204 -1.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.999 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.61 -31.32 71.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.481 HG23 HD11 ' A' ' 61' ' ' ILE . 19.4 m -75.86 -46.93 27.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.936 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.715 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 51.9 t -62.51 -43.84 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.282 0.563 . . . . 0.0 109.841 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 69.2 mttt -64.64 -32.55 74.26 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' A' ' 65' ' ' LEU . 50.8 t60 -66.49 -34.37 77.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.637 177.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.6 pp -72.53 -28.5 62.89 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.125 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 10.9 mmm-85 -67.32 -42.58 83.38 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -61.25 -43.71 98.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.196 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 91' ' ' LEU . 87.3 mt -64.41 -46.27 83.97 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.962 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.8 mm-40 -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -175.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -12.76 57.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.77 -28.01 33.48 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.933 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.427 -1.586 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.958 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 20.6 ptp . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.25 155.42 58.56 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.13 165.47 30.15 Favored 'Trans proline' 0 C--O 1.245 0.855 0 C-N-CA 122.615 2.21 . . . . 0.0 111.852 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -141.29 134.49 29.41 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.1 p -66.33 166.16 12.73 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.63 -159.15 0.94 Allowed 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.38 0.672 . . . . 0.0 109.37 -177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.8 m 74.87 163.69 0.27 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.404 ' CD ' ' HD1' ' B' ' 34' ' ' HIS 0.332 0.0 OUTLIER -99.1 -44.48 6.27 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -177.202 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' B' B ' 34' ' ' HIS . . . . . 0.404 ' HD1' ' CD ' ' B' ' 33' ' ' GLU . 46.6 p-80 -130.26 117.82 20.41 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.446 -0.901 . . . . 0.0 111.122 175.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -137.47 150.85 47.89 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -138.51 68.96 1.38 Allowed 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.573 1.178 . . . . 0.0 109.246 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' B' ' 43' ' ' GLU . 73.6 m -163.35 159.72 22.81 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 111.868 -2.424 . . . . 0.0 106.381 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -101.38 -26.79 13.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 122.595 1.188 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.485 ' HG3' HG22 ' B' ' 41' ' ' ILE 0.303 1.4 tpmt? -98.47 122.42 53.65 Favored Pre-proline 1 N--CA 1.364 -4.774 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.417 -169.698 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 39' ' ' LYS . 11.3 Cg_endo -57.35 -26.61 71.56 Favored 'Trans proline' 0 C--O 1.214 -0.677 0 C-N-CA 123.985 3.123 . . . . 0.0 113.489 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.485 HG22 ' HG3' ' B' ' 39' ' ' LYS . 10.5 tt -77.76 -41.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.47 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.41 ' HG2' ' HG2' ' B' ' 39' ' ' LYS . 93.9 mmm -64.28 -43.87 93.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.053 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' B' ' 40' ' ' PRO . 12.7 pt-20 -69.56 -32.2 70.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.384 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.92 -48.35 66.2 Favored 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 123.478 0.486 . . . . 0.0 110.166 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -56.97 -45.11 83.12 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.28 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.8 ttm180 -63.27 -53.5 51.9 Favored 'General case' 0 C--O 1.203 -1.393 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.929 178.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -51.83 -53.05 44.7 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.749 1.22 . . . . 0.0 111.901 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.92 92.07 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 122.553 0.341 . . . . 0.0 110.394 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -63.45 -35.26 79.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.151 0.282 . . . . 0.0 110.373 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.9 mt -59.45 -59.68 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -57.33 -46.21 83.48 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.19 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.98 -35.25 78.05 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -74.75 -37.75 62.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 119.851 -0.739 . . . . 0.0 109.661 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.62 -34.93 76.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -67.93 -49.46 61.66 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.11 -29.63 68.6 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.924 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.46 ' O ' HG12 ' B' ' 61' ' ' ILE . 6.7 tt -55.96 -58.5 7.64 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.279 1.032 . . . . 0.0 110.846 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -63.55 -30.32 71.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.825 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.42 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 89.1 m -67.6 -51.77 46.34 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.35 -32.77 73.1 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.506 HD11 HG23 ' B' ' 84' ' ' THR . 37.3 mm -63.78 -55.24 23.63 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-O 121.365 0.602 . . . . 0.0 110.15 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.65 -19.52 65.78 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.116 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -77.65 -32.35 53.22 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.031 0.443 . . . . 0.0 111.751 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.54 -32.14 26.02 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.681 0.753 . . . . 0.0 110.002 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.493 HD13 ' HE3' ' B' ' 67' ' ' LYS . 8.2 mt -102.01 -39.8 7.15 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.289 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt 50.17 40.6 22.32 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.917 0.887 . . . . 0.0 110.982 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.493 ' HE3' HD13 ' B' ' 65' ' ' LEU . 89.9 mttt -55.6 -62.82 1.43 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.865 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.7 t70 -162.03 135.09 6.09 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -177.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -87.66 -15.43 37.22 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.626 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 14.5 t -70.08 -45.18 67.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -75.16 -20.86 59.15 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 177.311 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -69.45 -28.55 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -90.95 15.71 10.92 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.904 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 71.78 0.83 Allowed 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.508 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 21.2 mt -116.55 117.92 31.2 Favored 'General case' 0 N--CA 1.395 -3.187 0 CA-C-N 113.899 -1.501 . . . . 0.0 111.602 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.65 151.73 28.83 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.8 ttmt -52.63 -42.86 65.0 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.398 0.618 . . . . 0.0 111.319 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.75 -35.38 72.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.547 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.87 -39.78 34.29 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.002 0.906 . . . . 0.0 108.594 -173.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' B' ' 58' ' ' LYS . 76.8 mt -63.51 -51.49 69.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.068 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 83.4 mt -57.84 -47.7 81.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 19.8 tt0 -58.85 -41.92 88.1 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.564 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.454 ' HG3' HG21 ' B' ' 61' ' ' ILE . 36.0 tpp -68.99 -29.51 67.73 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.71 0.767 . . . . 0.0 109.622 -174.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.506 HG23 HD11 ' B' ' 61' ' ' ILE . 20.9 m -75.05 -45.47 41.34 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.072 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 68.9 t -65.68 -42.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.915 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 44.6 mttm -63.12 -36.86 84.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.077 0.465 . . . . 0.0 111.306 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -66.86 -34.29 77.47 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.561 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 3.1 pp -67.64 -33.54 75.17 Favored 'General case' 0 C--O 1.204 -1.327 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.123 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -57.67 -48.99 77.98 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.1 -54.36 40.54 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.965 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.41 ' HB2' HD13 ' A' ' 91' ' ' LEU . 95.6 mt -68.27 -17.42 64.28 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.401 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.95 -39.01 21.97 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.94 7.83 36.75 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.113 -172.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 -5.89 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.71 0.767 . . . . 0.0 109.897 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 C--O 1.236 0.385 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -73.66 150.34 88.73 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.667 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.34 -41.93 63.65 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 123.324 2.683 . . . . 0.0 112.842 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.79 86.33 5.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.191 0.519 . . . . 0.0 110.389 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.4 m -137.17 -58.31 0.71 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.99 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.1 21.7 16.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.85 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 t -88.96 106.59 18.52 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.13 140.11 39.02 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.284 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -75.09 100.27 4.18 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.662 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -107.42 -47.34 3.66 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -155.57 92.35 1.39 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.8 m -153.61 150.25 28.44 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 114.264 -1.334 . . . . 0.0 108.934 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -170.04 -40.53 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.999 0.904 . . . . 0.0 108.691 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -101.07 117.81 61.6 Favored Pre-proline 0 C--N 1.287 -2.152 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.24 -31.8 17.72 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.766 2.311 . . . . 0.0 111.178 -172.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 tt -78.39 -41.06 25.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.392 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.88 -42.95 89.68 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.531 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.55 -34.43 75.83 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -67.98 -47.13 69.41 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -53.82 -52.85 59.03 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.053 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -68.56 -48.23 64.79 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.244 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' ILE . 79.1 ttt180 -53.28 -48.8 68.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.461 0.704 . . . . 0.0 111.685 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -60.69 -49.2 78.45 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.162 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -63.23 -33.24 75.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -57.36 -55.43 20.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.96 -45.62 91.61 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.65 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 54.7 mt-10 -63.26 -37.93 89.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 m -76.07 -39.86 54.45 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.273 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.5 -37.03 85.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 t -58.07 -54.79 42.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -70.17 -31.45 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.89 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -57.23 -59.87 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.349 0.659 . . . . 0.0 110.372 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.96 -27.71 69.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -66.98 -51.32 56.52 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.485 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.91 -31.83 64.91 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 61' ' ' ILE . 18.6 mm -64.52 -35.83 75.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.952 176.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -75.4 -38.89 59.63 Favored 'General case' 0 C--O 1.192 -1.944 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.516 179.135 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.85 -29.16 61.97 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.368 0.604 . . . . 0.0 112.025 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.38 33.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 122.087 -0.383 . . . . 0.0 110.044 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.37 -30.69 16.39 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.414 -0.915 . . . . 0.0 112.113 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 55.01 38.15 30.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.438 1.095 . . . . 0.0 111.588 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -55.8 -71.83 0.08 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.951 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -177.4 152.3 0.83 Allowed 'General case' 0 CA--C 1.465 -2.305 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -82.1 -27.63 32.74 Favored 'General case' 0 N--CA 1.408 -2.548 0 O-C-N 124.048 0.842 . . . . 0.0 111.547 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 t -69.67 -42.52 74.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.414 0.626 . . . . 0.0 109.323 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -7.61 56.96 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.06 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 15.0 t-160 -89.6 -36.5 15.26 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m -70.73 -11.01 60.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.988 0.899 . . . . 0.0 111.579 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -129.34 23.99 5.53 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.693 -179.37 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.547 ' HG ' HG13 ' A' ' 80' ' ' ILE . 12.7 tp -81.57 115.09 20.69 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.686 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.9 mm-40 -72.72 146.2 46.63 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.615 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -49.91 -43.51 49.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.261 0.553 . . . . 0.0 111.355 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.86 -35.02 70.37 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.553 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -79.19 -44.89 20.98 Favored 'General case' 0 CA--C 1.479 -1.776 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.417 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.547 HG13 ' HG ' ' A' ' 75' ' ' LEU . 81.4 mt -54.28 -51.96 43.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.227 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 80.9 mt -59.93 -49.7 76.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.739 0.304 . . . . 0.0 110.276 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.0 tt0 -58.02 -40.16 80.16 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.624 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -31.54 71.97 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.326 -173.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -72.68 -38.9 67.43 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.378 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 54.7 t -67.51 -44.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 66.2 mttt -61.67 -38.57 88.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.37 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.38 -35.19 78.41 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.6 tp -61.03 -43.97 98.09 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -65.6 -42.51 91.54 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.592 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -61.82 -42.3 98.85 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.861 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.27 -44.49 68.31 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.68 -30.39 71.4 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.158 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -4.69 46.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.682 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.15 -5.9 50.85 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.526 0.679 . . . . 0.0 110.981 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.089 -174.746 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.148 0.499 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -117.27 95.25 46.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 169.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.08 -34.21 92.06 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 123.085 2.523 . . . . 0.0 110.632 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -95.42 97.23 9.66 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.9 p -63.91 -58.82 5.61 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.027 -173.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.09 -71.46 0.12 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m 54.01 80.76 0.11 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.367 1.042 . . . . 0.0 111.071 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 68.02 172.45 0.28 Allowed 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.599 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 54.68 67.97 0.93 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.036 0.934 . . . . 0.0 110.324 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -122.5 -34.22 3.3 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.983 -176.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -124.02 124.88 43.54 Favored 'General case' 0 N--CA 1.403 -2.797 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -170.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m 77.22 -45.42 0.47 Allowed 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 124.842 1.257 . . . . 0.0 111.928 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -90.8 120.63 31.99 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.736 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.533 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -106.41 120.68 47.81 Favored Pre-proline 0 C--N 1.279 -2.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.499 171.582 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' B' ' 39' ' ' LYS . 12.1 Cg_endo -54.09 -40.02 83.28 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 123.399 2.733 . . . . 0.0 111.847 -174.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 tt -73.21 -44.5 55.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.601 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 95.8 mmm -66.5 -42.15 87.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 111.403 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.2 pt-20 -70.63 -29.24 65.55 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.193 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -69.25 -40.44 77.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -60.54 -48.53 81.38 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.521 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.532 ' O ' HG13 ' B' ' 50' ' ' ILE . 14.5 ttt180 -62.63 -50.65 70.38 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.07 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -55.14 -44.71 75.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.331 1.052 . . . . 0.0 111.177 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.54 -53.85 52.7 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -61.89 -33.43 74.2 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.563 0.539 . . . . 0.0 111.725 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' ARG . 99.0 mt -60.16 -53.27 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -64.77 -42.68 94.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.411 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 44.1 mt-10 -60.49 -42.39 96.22 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.457 0.473 . . . . 0.0 111.861 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 23.2 m -74.57 -43.19 56.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.458 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 3.3 tt -63.67 -42.44 98.07 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.606 0.717 . . . . 0.0 109.94 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.2 m -68.66 -41.91 78.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.523 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.78 -31.23 67.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.406 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.423 HD21 ' OG1' ' B' ' 84' ' ' THR . 8.9 tt -55.96 -57.35 12.46 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.409 1.084 . . . . 0.0 110.358 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -61.35 -33.55 73.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -66.77 -50.52 62.43 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.07 -29.5 66.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.475 HD11 HG23 ' B' ' 84' ' ' THR . 31.5 mm -67.84 -48.4 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.021 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 4.3 mm? -64.61 -20.25 66.16 Favored 'General case' 0 C--O 1.188 -2.133 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 177.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.493 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 23.8 t70 -83.13 -37.57 23.58 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.145 0.497 . . . . 0.0 111.12 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.77 -34.4 58.03 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.976 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' B' ' 87' ' ' HIS . 4.4 mp -107.38 -37.04 6.34 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.019 -1.073 . . . . 0.0 111.008 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 26.9 mtmt 57.53 71.15 0.6 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.96 0.886 . . . . 0.0 110.68 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.59 -62.11 1.79 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.291 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.404 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.7 t0 -173.57 149.47 1.65 Allowed 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.0 p -85.93 -21.83 27.74 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.513 0.508 . . . . 0.0 111.867 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -70.47 -46.81 63.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.644 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.08 -15.11 61.5 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.18 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 12.1 t-160 -77.6 -37.84 49.45 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.3 m -89.17 0.07 57.04 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.551 0.691 . . . . 0.0 112.174 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -107.28 -15.63 14.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.765 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 20.3 mt -39.82 110.54 0.15 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.436 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 39.5 mt-10 -80.71 150.61 29.27 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.443 ' O ' HD13 ' B' ' 81' ' ' LEU . 2.9 ttmp? -50.28 -46.68 55.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 112.213 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.37 -29.99 70.25 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 123.834 0.854 . . . . 0.0 112.331 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -78.68 -41.66 30.6 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 72.1 mt -64.6 -51.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.602 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -54.93 -53.12 59.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.663 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.7 tt0 -64.44 -35.66 81.65 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.352 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.468 ' HG2' HG21 ' B' ' 61' ' ' ILE . 44.3 ttp -60.67 -43.82 97.21 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.812 0.815 . . . . 0.0 110.348 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' THR . . . . . 0.475 HG23 HD11 ' B' ' 61' ' ' ILE . 6.9 m -67.39 -41.75 84.46 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.46 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 47.4 t -64.62 -46.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.266 0.555 . . . . 0.0 109.939 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.1 mtmt -61.85 -36.72 82.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.777 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' HIS . . . . . 0.545 ' CG ' HD11 ' B' ' 65' ' ' LEU . 55.2 t60 -70.49 -33.37 71.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.7 pp -66.74 -33.4 75.55 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.915 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.681 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.3 mpt_? -57.64 -50.93 71.52 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 123.507 0.505 . . . . 0.0 109.967 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.4 -47.58 81.32 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 123.897 0.748 . . . . 0.0 111.056 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.23 -22.48 62.9 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.104 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.09 -38.34 31.91 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 120.897 0.38 . . . . 0.0 111.782 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.1 OUTLIER -102.48 13.45 34.51 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.117 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.5 52.39 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.637 0.732 . . . . 0.0 109.787 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.416 -2.173 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.409 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 C--O 1.213 -0.826 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -62.18 -53.69 56.53 Favored Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.87 -35.73 92.9 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 121.697 1.598 . . . . 0.0 111.791 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -80.71 89.34 5.75 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -74.27 83.35 1.88 Allowed 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.782 0.801 . . . . 0.0 111.092 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.72 90.28 7.69 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.073 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.523 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 18.8 m -87.83 118.56 27.43 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.79 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.15 -39.74 82.56 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 32' ' ' SER . 79.0 m80 -112.19 136.72 51.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 170.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -54.12 -48.24 70.98 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.793 0.683 . . . . 0.0 112.524 -172.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.794 ' H ' ' HD3' ' A' ' 36' ' ' LYS 0.278 0.1 OUTLIER -82.92 53.39 2.41 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 123.132 1.444 . . . . 0.0 113.295 -178.28 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m -123.99 87.69 2.78 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 114.119 -1.401 . . . . 0.0 109.311 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 m -134.37 1.07 3.13 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.652 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -104.36 120.58 50.23 Favored Pre-proline 0 N--CA 1.424 -1.739 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.142 173.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.51 -37.39 81.02 Favored 'Trans proline' 0 C--N 1.332 -0.332 0 C-N-CA 122.945 2.43 . . . . 0.0 111.503 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 9.1 tt -68.02 -40.5 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.161 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.48 -41.41 84.63 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.043 0.449 . . . . 0.0 112.195 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.51 -25.77 45.68 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.834 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -75.6 -34.72 60.63 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.575 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -59.7 -50.51 73.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.862 173.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.6 ttm180 -59.22 -48.2 82.52 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.658 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.7 ttt180 -53.63 -49.83 67.02 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.642 0.777 . . . . 0.0 110.969 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.54 -47.35 85.9 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 49' ' ' ARG . 22.4 tpt180 -63.17 -34.47 77.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.671 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.0 mt -60.12 -53.49 47.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.677 175.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -59.47 -43.08 93.33 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.711 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 58.0 mt-10 -59.52 -42.55 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.638 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -76.67 -37.02 56.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.474 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.08 -40.57 78.38 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.677 0.751 . . . . 0.0 109.268 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -69.2 -44.18 72.63 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.771 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -71.22 -27.98 63.87 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.414 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' OG1' ' A' ' 84' ' ' THR . 9.3 tt -58.24 -57.22 13.86 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.273 0.629 . . . . 0.0 110.217 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -61.77 -33.28 73.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -69.48 -47.93 62.32 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.452 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.1 -37.32 72.4 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.43 HG21 ' HG2' ' A' ' 83' ' ' MET . 35.4 mm -62.43 -41.89 93.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.89 0.853 . . . . 0.0 109.201 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 6.5 tp -73.44 -20.61 60.67 Favored 'General case' 0 C--O 1.198 -1.617 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.472 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.18 -33.23 24.24 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.838 0.828 . . . . 0.0 111.049 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -80.77 -37.7 29.89 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.912 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.36 -29.68 10.59 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.78 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 28.1 mtmt 59.17 55.18 4.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.506 0.669 . . . . 0.0 111.989 172.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.82 -72.54 0.15 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.832 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.58 146.21 2.15 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.9 m -83.76 -19.76 34.55 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 123.558 0.536 . . . . 0.0 110.791 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 m -71.88 -40.88 68.63 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 109.415 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -23.42 60.72 Favored 'General case' 0 C--O 1.203 -1.343 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.435 ' ND1' HD22 ' A' ' 62' ' ' LEU . 25.5 t60 -68.34 -28.95 67.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 176.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -86.15 -10.88 53.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.852 0.834 . . . . 0.0 112.081 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.547 ' O ' ' HE2' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -91.9 -40.32 11.23 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.374 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' HG13 ' A' ' 80' ' ' ILE . 6.7 tp -38.41 98.17 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 128.57 2.748 . . . . 0.0 111.908 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.4 167.63 19.22 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.413 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.4 ttpt -59.13 -40.25 84.86 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.346 0.593 . . . . 0.0 111.8 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -63.21 -30.48 71.61 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.218 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.37 -52.97 8.25 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.462 HG13 ' HG ' ' A' ' 75' ' ' LEU . 84.2 mt -49.05 -52.44 10.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 113.823 -1.535 . . . . 0.0 112.23 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.9 mt -61.03 -50.04 74.95 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 123.165 0.29 . . . . 0.0 111.049 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 31.0 tt0 -62.99 -33.38 75.28 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.43 ' HG2' HG21 ' A' ' 61' ' ' ILE . 37.3 ttp -56.89 -53.9 52.61 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.453 ' OG1' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -55.39 -44.19 75.9 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.569 0.224 . . . . 0.0 111.548 176.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' LEU . 44.2 t -59.42 -51.39 73.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.529 0.681 . . . . 0.0 110.744 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mtmt -65.8 -30.67 71.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.837 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -77.73 -25.42 49.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.686 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tm? -61.42 -43.03 99.57 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 6.6 mmm-85 -60.53 -48.76 80.34 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.718 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.48 -54.4 47.5 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.371 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.59 -30.65 71.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.798 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.585 HE21 ' HB1' ' B' ' 64' ' ' ALA . 12.3 mm-40 -75.81 -19.38 58.99 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.7 ppt_? -110.57 10.07 23.05 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.789 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.27 32.32 0.56 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 0.0 110.083 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 C--N 1.302 -1.48 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -176.2 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 C--O 1.236 0.376 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -81.79 -47.37 1.02 Allowed Pre-proline 0 C--N 1.311 -1.067 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.36 108.16 0.49 Allowed 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 121.644 1.563 . . . . 0.0 112.623 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -78.42 -45.26 22.73 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -90.93 91.07 8.17 Favored 'General case' 0 N--CA 1.402 -2.834 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 170.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.75 155.59 24.18 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.03 -176.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.8 t -95.01 92.49 6.88 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -167.19 88.51 0.31 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -137.33 127.39 25.98 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 62.3 ttt180 58.18 41.17 24.12 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 122.781 1.277 . . . . 0.0 108.896 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.411 ' HD2' ' OE1' ' B' ' 43' ' ' GLU . 3.7 tppp? -156.89 99.4 1.83 Allowed 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.775 -177.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -91.74 89.99 7.33 Favored 'General case' 0 C--N 1.283 -2.323 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.299 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t 176.87 -173.63 0.1 Allowed 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.596 ' HE3' ' HD2' ' B' ' 40' ' ' PRO . 0.0 OUTLIER -106.08 120.76 47.85 Favored Pre-proline 0 N--CA 1.403 -2.781 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 171.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.596 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 18.0 Cg_endo -60.36 -34.23 93.59 Favored 'Trans proline' 0 C--O 1.205 -1.138 0 C-N-CA 122.812 2.341 . . . . 0.0 110.233 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 tt -67.95 -43.63 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.732 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.13 -41.65 73.63 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.411 ' OE1' ' HD2' ' B' ' 36' ' ' LYS . 12.6 pt-20 -77.24 -22.25 52.5 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.876 -1.129 . . . . 0.0 111.94 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.48 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.16 -47.56 79.38 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.967 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.451 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.9 ttm180 -58.52 -53.27 60.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 123.748 0.655 . . . . 0.0 110.298 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' B' ' 50' ' ' ILE . 64.1 ttt180 -53.55 -47.31 70.14 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 124.626 1.17 . . . . 0.0 110.562 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.63 -52.26 66.16 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ARG . . . . . 0.55 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 9.6 tpp180 -60.23 -31.59 70.33 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.101 0.251 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.461 HD13 ' HE3' ' A' ' 77' ' ' LYS . 97.0 mt -62.99 -57.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -62.73 -38.37 90.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.39 -37.61 77.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.247 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 19.8 p -72.02 -36.0 69.56 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.652 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.37 -38.0 88.73 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.138 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 t -63.94 -49.84 71.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.527 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -69.2 -28.03 66.01 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.58 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 53' ' ' SER . 8.6 tt -60.94 -59.12 5.88 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.066 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -57.78 -38.9 76.26 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.234 0.334 . . . . 0.0 110.609 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.6 m -58.79 -52.66 64.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.848 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.2 -29.37 57.61 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.93 -47.42 88.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 120.899 0.38 . . . . 0.0 110.259 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.93 63.34 Favored 'General case' 0 C--O 1.205 -1.287 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 59' ' ' THR . 6.1 t70 -73.28 -37.62 66.19 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 121.135 0.493 . . . . 0.0 111.07 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.585 ' HB1' HE21 ' A' ' 92' ' ' GLN . . . -82.83 -42.93 17.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.301 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.46 -29.97 27.61 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.018 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt 49.77 67.31 0.92 Allowed 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 124.381 1.072 . . . . 0.0 113.107 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.468 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -83.8 -72.83 0.44 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.145 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -175.29 155.51 1.89 Allowed 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 t -80.89 -29.16 35.72 Favored 'General case' 0 N--CA 1.405 -2.688 0 O-C-N 123.738 0.649 . . . . 0.0 111.719 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -64.23 -47.09 80.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.729 0.3 . . . . 0.0 110.473 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 9.5 ptp180 -68.7 -38.85 80.6 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.258 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 10.7 t-160 -56.65 -33.75 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 26.6 m -77.64 -1.23 29.89 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 122.089 0.947 . . . . 0.0 111.561 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' OD2' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -109.82 -29.14 8.43 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.002 176.202 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.411 HD23 HG12 ' B' ' 80' ' ' ILE . 3.5 tp -45.03 110.99 0.27 Allowed 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.761 1.624 . . . . 0.0 113.026 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.2 164.8 17.87 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.631 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.671 ' HE3' HD13 ' A' ' 50' ' ' ILE . 25.5 ttpt -54.65 -40.22 68.8 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.541 0.525 . . . . 0.0 111.732 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.93 68.84 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.495 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.455 ' OD2' ' HE2' ' B' ' 74' ' ' LYS . 42.5 m-20 -77.7 -53.01 8.04 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.411 HG12 HD23 ' B' ' 75' ' ' LEU . 83.1 mt -50.07 -50.13 20.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 113.664 -1.607 . . . . 0.0 111.535 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.508 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -60.44 -46.75 88.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.63 0.581 . . . . 0.0 112.203 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.682 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.3 tt0 -64.82 -37.54 87.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.767 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 27.6 tpp -62.06 -30.95 71.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -44.26 49.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.519 0.676 . . . . 0.0 109.493 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.6 t -61.82 -40.62 87.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.375 0 CA-C-O 122.268 1.032 . . . . 0.0 109.676 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.3 mtmt -69.25 -30.64 68.81 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.031 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.52 80.6 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -52.76 64.2 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.477 ' NH1' HG12 ' B' ' 85' ' ' VAL . 4.5 mpt_? -58.68 -46.91 86.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.721 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 90.0 m-20 -59.75 -47.9 83.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 123.571 0.748 . . . . 0.0 112.588 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -74.05 -37.01 64.42 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLN . . . . . 0.54 HE21 ' HB1' ' A' ' 64' ' ' ALA . 13.3 mm-40 -70.18 -24.11 63.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -86.76 -8.64 57.19 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.775 0.798 . . . . 0.0 109.643 -179.433 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.22 59.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.004 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -81.52 -53.42 0.74 Allowed Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 119.126 -0.464 . . . . 0.0 109.816 174.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.08 96.26 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 120.952 1.101 . . . . 0.0 109.729 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.48 157.35 45.85 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -73.33 102.51 3.73 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.17 159.37 16.14 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.038 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.3 m -101.71 131.89 47.73 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.662 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -69.38 109.28 4.09 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.181 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -67.68 -36.05 79.98 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.378 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -137.19 139.82 41.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.801 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -141.88 125.74 17.1 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 p -91.37 -73.07 0.55 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.263 0.554 . . . . 0.0 111.082 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.0 t -153.95 -61.78 0.13 Allowed 'General case' 0 C--N 1.281 -2.394 0 CA-C-O 121.756 0.789 . . . . 0.0 109.928 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.643 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -104.79 117.49 58.7 Favored Pre-proline 0 C--N 1.278 -2.536 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.26 177.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 Cg_endo -61.71 -34.34 83.84 Favored 'Trans proline' 0 C--O 1.211 -0.834 0 C-N-CA 123.304 2.67 . . . . 0.0 111.283 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 8.1 tt -74.08 -42.92 52.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 mmt -67.28 -41.78 84.89 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 120.853 0.359 . . . . 0.0 111.837 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.8 pt-20 -70.85 -30.28 66.63 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.239 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 27.4 ttpp -71.74 -34.97 69.97 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 59.6 mtp180 -64.08 -43.17 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.576 0.703 . . . . 0.0 109.441 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.37 -49.36 60.74 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.813 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.12 -46.86 75.62 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.433 1.093 . . . . 0.0 111.755 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.25 -49.33 74.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.29 -36.92 83.58 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.041 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.76 -49.7 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 110.0 176.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -63.96 -44.81 91.65 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 30.1 mm-40 -63.48 -40.5 97.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.215 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.5 p -74.93 -41.81 58.94 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.933 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.2 -40.58 96.54 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -68.28 -42.4 79.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.327 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -69.38 -32.76 72.0 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 119.711 -0.796 . . . . 0.0 108.862 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD21 ' OG1' ' A' ' 84' ' ' THR . 8.3 tt -57.66 -58.86 6.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.961 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.83 -34.83 72.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.254 0.346 . . . . 0.0 111.092 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 m -64.12 -52.95 56.68 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.918 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.22 -33.45 67.58 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -65.53 -52.36 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 O-C-N 123.105 0.253 . . . . 0.0 111.424 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -61.75 -32.04 72.26 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.591 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.8 -26.73 57.53 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 123.893 0.877 . . . . 0.0 111.148 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -83.63 -29.32 27.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.177 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.9 mp -98.04 -35.71 10.35 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.002 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 58.96 69.41 0.73 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.921 1.343 . . . . 0.0 111.878 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HE2' HD22 ' A' ' 65' ' ' LEU . 67.3 mttm -85.94 -65.79 0.97 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 112.929 -1.942 . . . . 0.0 111.214 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -175.18 147.25 0.89 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 t -83.03 -20.16 35.54 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-O 121.072 0.463 . . . . 0.0 110.492 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -71.78 -43.66 65.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -6.43 56.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.369 0.604 . . . . 0.0 110.349 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 13.1 t-160 -89.38 -18.3 27.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.875 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 m -98.09 -4.81 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.876 0.846 . . . . 0.0 111.187 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.38 73.83 1.55 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.75 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.1 tp -126.79 107.32 10.03 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.27 -173.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -76.73 149.89 36.32 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.538 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -48.35 -45.7 35.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.209 0.603 . . . . 0.0 112.422 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -63.87 -31.72 73.0 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.95 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -78.44 -35.2 47.19 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.245 1.021 . . . . 0.0 108.506 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.8 mt -67.9 -52.33 40.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.736 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 mt -55.8 -51.77 66.32 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 123.378 0.424 . . . . 0.0 109.971 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 24.3 tt0 -59.36 -36.51 75.86 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.505 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.0 ttm -67.54 -39.75 85.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.814 0.816 . . . . 0.0 109.519 -176.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.427 ' OG1' HD21 ' A' ' 57' ' ' LEU . 9.0 m -67.7 -44.81 76.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.004 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 81' ' ' LEU . 45.2 t -66.38 -43.41 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.43 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.25 -36.09 82.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.538 -178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' A' ' 65' ' ' LEU . 9.9 t-80 -70.67 -27.25 63.88 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 27.1 tp -61.85 -45.63 92.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.8 mpt_? -57.77 -47.57 82.14 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.443 0.464 . . . . 0.0 109.804 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -54.38 -54.44 40.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 124.126 0.891 . . . . 0.0 111.623 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -66.27 -34.98 79.22 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.355 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -70.14 -19.6 63.21 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.1 ppt_? -111.04 -1.57 16.24 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 121.929 -0.482 . . . . 0.0 111.84 -175.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 18.07 0.62 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.53 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -176.107 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -114.9 156.47 45.05 Favored Pre-proline 0 C--N 1.307 -1.254 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -85.89 10.78 3.54 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 122.961 2.44 . . . . 0.0 109.606 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? 73.62 -83.91 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 126.582 1.953 . . . . 0.0 112.981 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -177.84 -173.83 0.41 Allowed 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -174.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.41 75.67 6.0 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 121.43 0.633 . . . . 0.0 111.321 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.2 m -101.94 97.9 8.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -130.64 129.84 43.19 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.262 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 176.08 91.2 0.01 OUTLIER 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 107.25 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 69.32 -74.52 0.08 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.475 1.51 . . . . 0.0 108.984 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -163.7 95.83 0.82 Allowed 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.562 ' OG ' ' HB3' ' B' ' 43' ' ' GLU . 7.5 t -97.03 108.95 21.78 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.216 -176.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -123.43 -8.54 8.06 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.563 ' HA ' ' HE2' ' B' ' 39' ' ' LYS . 7.5 mmpt? -104.66 115.47 62.64 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.969 -0.457 . . . . 0.0 111.423 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.03 -33.17 95.57 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.517 2.811 . . . . 0.0 112.698 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.4 tt -73.84 -42.25 53.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.6 -40.64 80.34 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.09 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.562 ' HB3' ' OG ' ' B' ' 37' ' ' SER . 10.1 pt-20 -73.86 -27.21 60.97 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.368 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -68.86 -46.95 67.17 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -59.39 -49.94 75.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.44 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.568 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.4 ttm180 -63.96 -57.17 10.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.388 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.6 ttt180 -60.08 -39.14 85.03 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 122.97 0.508 . . . . 0.0 111.847 -174.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -57.08 -54.51 45.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.593 0.558 . . . . 0.0 109.555 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -65.66 -27.97 68.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.986 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 46' ' ' ARG . 92.7 mt -61.54 -54.14 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -66.04 -43.72 86.73 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.473 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 49.1 mt-10 -61.66 -43.2 99.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.875 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -75.99 -37.66 58.25 Favored 'General case' 0 N--CA 1.436 -1.175 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.978 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.77 -39.32 80.29 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -65.5 -48.77 71.45 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLN . . . . . 0.464 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.3 pt20 -68.6 -28.75 67.2 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.518 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.82 -58.74 7.05 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -61.32 -30.56 70.57 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 50.0 m -66.78 -54.7 20.01 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.921 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.64 -41.04 96.42 Favored 'General case' 0 C--O 1.2 -1.506 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.439 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.65 -45.9 90.55 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 CA-C-O 121.599 0.714 . . . . 0.0 111.482 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.457 HD22 ' HD2' ' B' ' 67' ' ' LYS . 0.8 OUTLIER -70.02 -41.92 73.64 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.068 -177.179 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 9.8 t70 -79.93 -28.08 39.76 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -173.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -31.85 31.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.73 -16.4 15.46 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 118.671 -1.212 . . . . 0.0 112.686 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' B' ' 63' ' ' ASP 0.267 23.5 mtmt 48.74 65.26 1.4 Allowed 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.635 1.174 . . . . 0.0 113.862 178.448 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.457 ' HD2' HD22 ' B' ' 62' ' ' LEU . 47.8 mttp -62.31 -80.84 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.548 -2.115 . . . . 0.0 111.365 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -177.27 154.22 1.02 Allowed 'General case' 0 CA--C 1.475 -1.912 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -85.36 -26.41 26.51 Favored 'General case' 0 C--N 1.269 -2.898 0 O-C-N 123.818 0.699 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.0 t -67.8 -43.66 79.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -10.13 59.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.695 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.456 ' ND1' ' HG ' ' B' ' 62' ' ' LEU . 80.2 t60 -67.44 -21.45 65.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.532 0.682 . . . . 0.0 109.375 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -85.39 10.19 13.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -141.98 73.23 1.4 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.555 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.0 OUTLIER -133.49 117.04 16.69 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.987 174.322 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -94.61 159.31 15.14 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 24.7 ttpt -55.57 -41.44 73.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.212 0.46 . . . . 0.0 112.006 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.92 71.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.183 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.61 -43.01 27.41 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.967 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.78 -46.19 96.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.845 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.8 mt -62.02 -50.54 71.61 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.399 0.437 . . . . 0.0 110.129 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 14.7 tt0 -57.83 -37.68 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.956 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.1 tpp -59.64 -48.64 80.85 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 123.541 0.526 . . . . 0.0 109.859 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -40.99 90.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' VAL . . . . . 0.537 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 48.4 t -65.75 -48.41 82.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.197 0.522 . . . . 0.0 110.096 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 77.9 mttt -65.38 -33.72 76.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.439 0.638 . . . . 0.0 110.764 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.27 -26.99 60.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.477 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 24.3 tp -60.27 -43.75 95.94 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 7.6 mmm-85 -61.34 -48.23 82.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.952 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.53 -54.49 46.41 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.613 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 86.2 mt -70.84 -17.24 62.75 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.608 -176.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLN . . . . . 0.405 HE21 ' HB1' ' A' ' 64' ' ' ALA . 9.5 mm-40 -86.6 -19.58 29.16 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -107.75 4.94 26.18 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.669 179.284 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -12.87 61.73 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.953 0.882 . . . . 0.0 110.424 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.403 -2.809 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 CA--C 1.499 -0.992 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.44 -25.2 63.09 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.775 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.2 60.22 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.99 -42.11 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.8 ttm180 -59.43 -48.62 80.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.612 175.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 50' ' ' ILE . 78.3 ttt180 -52.71 -45.25 66.83 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.176 0.99 . . . . 0.0 111.592 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.36 -49.96 75.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 123.75 0.656 . . . . 0.0 109.703 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -65.03 -31.31 72.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.7 mt -59.2 -52.73 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.955 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 44.9 mt-10 -57.04 -45.77 82.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.356 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.8 m -69.1 -45.24 70.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.531 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.2 -36.29 83.73 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.692 0.62 . . . . 0.0 110.24 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 22.9 t -63.26 -53.34 54.47 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.198 0.523 . . . . 0.0 110.547 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -71.15 -25.76 62.7 Favored 'General case' 0 C--N 1.317 -0.848 0 O-C-N 121.776 -0.577 . . . . 0.0 110.892 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' ILE . 6.1 tt -59.38 -57.63 12.14 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 123.823 0.849 . . . . 0.0 110.487 177.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' SER . 65.8 pttt -58.64 -37.74 76.59 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.8 0.333 . . . . 0.0 110.706 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.8 m -58.81 -59.79 4.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.637 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.02 -27.89 66.93 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 84' ' ' THR . 41.0 mm -71.41 -55.26 14.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.266 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -174.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.662 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 3.6 m-20 -74.71 -24.77 58.8 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.07 63.95 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.971 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD22 ' NZ ' ' A' ' 67' ' ' LYS . 3.7 mp -99.95 -19.77 16.43 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 119.571 -0.852 . . . . 0.0 111.373 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.662 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.3 mmpt? 63.35 48.83 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.641 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.834 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 48.2 mttp -57.41 -77.44 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.812 174.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.547 ' OD2' ' HB3' ' A' ' 70' ' ' SER . 34.0 t70 -168.74 131.45 1.35 Allowed 'General case' 0 CA--C 1.461 -2.462 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.6 m -86.78 -15.34 39.63 Favored 'General case' 0 N--CA 1.406 -2.644 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.9 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB3' ' OD2' ' A' ' 68' ' ' ASP . 38.2 t -71.8 -49.67 36.57 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -71.63 -13.29 61.71 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.58 ' HA ' HD13 ' A' ' 75' ' ' LEU . 14.1 t-80 -67.11 -16.74 64.51 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.156 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.1 p -79.17 -6.2 55.98 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.71 0.766 . . . . 0.0 110.989 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -142.89 74.81 1.46 Allowed 'General case' 0 N--CA 1.424 -1.764 0 CA-C-O 122.352 1.073 . . . . 0.0 109.101 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.39 123.64 50.56 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.853 171.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -64.99 142.88 58.28 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.0 ttmt -50.49 -39.73 49.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -64.99 -32.21 73.83 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.65 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' ' 83' ' ' MET . 21.1 t70 -76.13 -34.33 59.45 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 78.8 mt -68.26 -50.18 60.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.653 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.6 mt -60.43 -50.96 71.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 11.5 tt0 -59.71 -35.51 74.66 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.834 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 24.6 tpp -67.37 -35.12 78.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.691 0.758 . . . . 0.0 109.298 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.439 HG23 HD11 ' A' ' 61' ' ' ILE . 14.1 m -72.3 -44.16 63.14 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.052 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' LEU . 60.8 t -63.8 -42.88 97.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mttm -66.3 -36.7 83.62 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.626 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.24 -27.07 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tt -64.47 -43.4 94.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.649 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 18.0 mmm180 -61.93 -45.04 95.45 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.517 -1.22 . . . . 0.0 109.137 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.52 -48.44 81.66 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.487 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 97.7 mt -62.99 -34.95 78.64 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.207 0.527 . . . . 0.0 111.697 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -70.53 -28.93 65.32 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.59 -7.88 8.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -173.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 O-C-N 121.427 -0.796 . . . . 0.0 110.837 -179.378 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -75.28 -40.74 58.4 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -62.83 -40.81 98.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.46 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.573 ' O ' HG13 ' B' ' 50' ' ' ILE . 37.8 ttm180 -58.06 -54.8 42.84 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.267 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' B' ' 50' ' ' ILE . 20.2 ttt180 -52.1 -50.02 62.45 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 124.535 1.134 . . . . 0.0 111.305 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.85 -48.21 78.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.103 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 12.6 tpp180 -66.25 -31.11 71.73 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.954 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -61.59 -45.21 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.33 -43.39 86.26 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.173 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 28.4 mm-40 -57.05 -44.8 83.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.981 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p -76.31 -42.07 46.45 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.575 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.55 -38.56 91.61 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.71 -49.72 71.98 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.707 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.731 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -56.02 -58.46 7.83 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.006 0.923 . . . . 0.0 109.67 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.02 -44.35 70.88 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.914 0.885 . . . . 0.0 110.725 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -60.43 -55.31 35.06 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.943 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.02 -31.61 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 28.2 mm -66.72 -55.5 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.515 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.62 -28.76 70.13 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 0.5 OUTLIER -80.54 -25.79 38.44 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.77 -32.07 25.6 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -90.18 -30.52 17.54 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.436 -0.505 . . . . 0.0 111.073 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 56.33 58.07 4.51 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.133 0.968 . . . . 0.0 110.5 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.717 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -78.27 -73.8 0.3 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.368 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -169.59 154.01 5.35 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -85.65 -21.63 28.31 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.757 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -73.64 -37.95 65.17 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -81.01 -6.49 58.85 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -81.87 -41.01 21.59 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 34.0 m -78.88 9.61 4.09 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.731 0.777 . . . . 0.0 110.723 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -139.19 30.08 2.21 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.737 1.256 . . . . 0.0 107.615 178.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 17.9 mt -85.07 107.49 17.2 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.835 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.58 148.61 42.77 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 27.7 ttmt -50.9 -43.11 59.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.9 71.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.154 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' B' ' 83' ' ' MET . 39.3 t0 -74.36 -39.6 62.65 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.1 mt -66.25 -52.46 47.35 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.564 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.7 mt -57.94 -52.65 64.62 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.638 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 37.9 tt0 -68.08 -28.04 67.01 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.013 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.717 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 46.3 tpp -64.4 -36.65 84.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.444 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 7.8 m -65.42 -44.56 87.01 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.765 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 44.3 t -67.68 -39.71 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.769 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 49.7 mtmt -68.28 -39.02 82.27 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 122.06 -0.4 . . . . 0.0 111.05 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' B' ' 65' ' ' LEU . 67.8 t60 -64.95 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.644 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 15.8 tp -62.88 -41.89 99.57 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.957 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 19.5 mmm180 -67.06 -40.96 87.2 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -62.14 -47.74 83.21 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.634 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 92.9 mt -64.78 -42.16 95.29 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.305 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.35 -12.02 59.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -104.18 -8.12 19.64 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.655 0.74 . . . . 0.0 111.631 174.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.12 36.99 1.03 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.287 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -178.177 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 CA--C 1.495 -1.164 0 CA-C-O 120.512 0.196 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.9 -21.81 59.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.225 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -42.22 54.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.302 -1.369 . . . . 0.0 107.302 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -61.33 -45.2 95.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.554 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.555 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.8 ttp180 -56.55 -54.31 47.38 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.035 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.709 ' HA ' HD12 ' A' ' 50' ' ' ILE . 47.3 ttp180 -52.77 -44.55 66.6 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.054 0.846 . . . . 0.0 112.639 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.17 94.42 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -63.73 -33.1 74.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 47' ' ' ARG . 87.6 mt -57.98 -55.27 22.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.47 -39.04 92.13 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.412 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 18.2 mm-40 -67.57 -36.53 81.1 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.193 177.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 m -76.13 -36.54 58.77 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 tt -67.79 -32.6 73.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.9 t -59.83 -53.96 51.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.988 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -70.45 -32.22 69.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.173 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.536 ' CD2' HG21 ' A' ' 84' ' ' THR . 2.0 tm? -54.07 -59.54 4.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.186 1.394 . . . . 0.0 108.229 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -58.26 -38.46 76.99 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.764 175.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.4 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 88.6 m -62.76 -53.6 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.069 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -28.9 66.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.562 HD11 HG23 ' A' ' 84' ' ' THR . 21.7 mm -66.59 -48.0 81.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.241 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -73.72 -20.62 60.47 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.231 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -82.46 -37.8 24.86 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 122.62 0.368 . . . . 0.0 111.938 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.49 -44.09 15.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.129 0.49 . . . . 0.0 110.353 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 87' ' ' HIS . 6.6 mp -82.66 -31.04 28.91 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.57 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 35.7 mtmt 47.86 67.78 0.77 Allowed 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 122.541 1.162 . . . . 0.0 112.251 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.3 -76.99 0.08 Allowed 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.997 -1.91 . . . . 0.0 109.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.1 t70 -176.32 152.16 1.08 Allowed 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.5 t -82.49 -24.87 33.97 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.224 0.535 . . . . 0.0 109.949 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -72.43 -45.6 58.89 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.272 0.558 . . . . 0.0 110.562 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.09 -11.21 57.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.064 -177.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -57.18 -43.08 82.29 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.617 0.767 . . . . 0.0 109.95 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -78.84 14.09 1.48 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.42 12.33 6.45 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-O 122.229 1.014 . . . . 0.0 109.478 173.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -81.02 111.53 17.58 Favored 'General case' 0 N--CA 1.417 -2.095 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.32 172.028 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.8 163.92 25.67 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.6 ttmt -52.59 -43.98 65.65 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -27.59 69.01 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.034 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -78.54 -43.82 25.81 Favored 'General case' 0 CA--C 1.491 -1.316 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.56 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.209 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 mp -57.43 -52.97 63.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 5.6 pt-20 -67.21 -27.13 67.0 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.819 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.6 tpp -69.62 -36.55 76.25 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.391 0.615 . . . . 0.0 109.706 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.562 HG23 HD11 ' A' ' 61' ' ' ILE . 4.0 m -68.79 -37.54 79.36 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.675 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 81' ' ' LEU . 96.8 t -63.55 -46.19 95.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.197 175.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 46.9 mttm -62.88 -40.93 99.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.145 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.434 ' CG ' HD11 ' A' ' 65' ' ' LEU . 11.5 t-160 -60.68 -33.3 72.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.651 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.506 HD22 HH11 ' A' ' 89' ' ' ARG . 4.3 tt -65.47 -44.4 87.31 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.506 HH11 HD22 ' A' ' 88' ' ' LEU . 21.8 mmm180 -66.26 -47.09 74.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.09 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.35 -45.91 87.28 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.248 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -69.2 -41.11 77.54 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.701 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -62.27 -28.18 69.53 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.31 9.7 41.56 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.8 0.809 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.441 -0.88 0 N-CA-C 111.293 0.109 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -67.25 -39.76 86.16 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 76.6 mtp180 -66.48 -42.67 87.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.674 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.414 ' O ' HG13 ' B' ' 50' ' ' ILE . 54.2 ttp180 -58.43 -51.24 70.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.678 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.673 ' HA ' HD12 ' B' ' 50' ' ' ILE . 40.7 ttt180 -56.38 -37.89 70.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.831 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.65 -46.26 89.56 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 4.9 mpt_? -64.94 -32.65 74.47 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.349 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' B' ' 47' ' ' ARG . 81.9 mt -58.94 -52.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.28 -46.23 91.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.466 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 44.6 mm-40 -64.8 -34.86 79.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.046 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 40.0 m -77.14 -32.26 56.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.934 -0.479 . . . . 0.0 111.195 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -75.56 -35.41 60.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.534 0.683 . . . . 0.0 109.44 -178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 p -71.27 -42.0 69.33 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.885 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.86 -33.23 75.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 7.8 tt -58.62 -56.24 24.73 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.435 1.094 . . . . 0.0 109.115 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.511 ' HE3' ' NE2' ' B' ' 72' ' ' HIS . 37.1 ttpt -52.09 -42.67 63.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.079 0.952 . . . . 0.0 110.541 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -63.44 -55.57 23.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.604 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -30.06 68.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.453 HD11 HG23 ' B' ' 84' ' ' THR . 22.2 mm -64.73 -52.23 57.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' B' ' 66' ' ' LYS . 3.6 mm? -66.36 -19.64 65.86 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.72 -0.612 . . . . 0.0 111.92 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -82.51 -34.57 27.9 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.133 0.492 . . . . 0.0 111.339 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.22 -37.59 23.38 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.0 mp -94.3 -33.34 13.26 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.653 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 62' ' ' LEU . 35.0 mtmt 49.82 67.94 0.82 Allowed 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 122.512 1.149 . . . . 0.0 112.638 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.635 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.3 mttm -82.75 -78.85 0.2 Allowed 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.372 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.521 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 10.7 m-20 -152.92 142.98 22.31 Favored 'General case' 0 CA--C 1.492 -1.254 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.8 p -86.9 -16.24 36.56 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.004 0.43 . . . . 0.0 111.583 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -79.34 -32.55 43.3 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.73 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.521 ' HG2' ' HB2' ' B' ' 68' ' ' ASP . 15.3 ptp180 -74.99 -37.03 61.96 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.511 ' NE2' ' HE3' ' B' ' 58' ' ' LYS . 3.6 t-160 -48.76 126.65 12.39 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.547 1.139 . . . . 0.0 109.83 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . 0.349 53.9 m 86.23 -27.55 0.08 Allowed 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.541 1.536 . . . . 0.0 113.739 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -90.27 -5.0 56.81 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.829 1.776 . . . . 0.0 106.88 171.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.483 HD23 HG12 ' B' ' 80' ' ' ILE . 14.2 tp -69.4 123.04 20.19 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.21 155.21 28.72 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.503 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 50' ' ' ILE . 34.2 ttmt -50.92 -43.28 59.92 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 123.828 0.705 . . . . 0.0 111.636 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.21 70.39 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.898 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.53 -52.08 9.01 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 75' ' ' LEU . 60.9 mt -52.83 -50.98 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.901 -1.5 . . . . 0.0 110.657 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -54.78 -53.07 59.98 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.211 0.319 . . . . 0.0 111.495 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.707 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -61.17 -37.33 82.51 Favored 'General case' 0 C--O 1.205 -1.252 0 O-C-N 123.368 0.417 . . . . 0.0 110.997 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 30.7 tpp -64.26 -38.67 91.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.553 0.692 . . . . 0.0 109.162 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.453 HG23 HD11 ' B' ' 61' ' ' ILE . 8.4 m -71.19 -41.86 69.77 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.008 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 60.9 t -59.65 -54.89 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.5 mtmt -56.1 -42.32 76.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.582 0.753 . . . . 0.0 111.531 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.563 ' CG ' HD11 ' B' ' 65' ' ' LEU . 82.0 t60 -68.22 -32.18 72.2 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.8 pp -74.1 -26.93 60.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 13.0 mmm180 -67.44 -46.84 71.9 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -54.43 -53.76 49.86 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.825 0.703 . . . . 0.0 109.689 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 95.6 mt -63.94 -17.42 63.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.509 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -82.16 -37.86 25.53 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.45 ' HD3' ' H ' ' B' ' 93' ' ' ARG . 0.0 OUTLIER -116.93 -17.32 10.43 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 117.868 -1.533 . . . . 0.0 114.719 -173.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.63 -1.23 20.71 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.67 0.748 . . . . 0.0 112.576 -173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.286 -2.162 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.424 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 CA--C 1.511 -0.55 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.22 -29.49 67.45 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.53 -41.08 76.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.17 -48.05 81.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.406 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' ILE . 20.5 ttm180 -59.23 -49.09 79.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.09 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.5 ttm180 -65.13 -35.02 79.8 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 123.942 0.897 . . . . 0.0 111.986 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.84 91.37 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -63.71 -35.55 80.93 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 47' ' ' ARG . 95.1 mt -58.07 -57.13 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 122.229 0.211 . . . . 0.0 110.437 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -60.89 -43.08 98.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.029 0.443 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 27.5 mm-40 -66.9 -34.17 77.2 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -76.41 -40.07 51.81 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.08 -43.13 96.37 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -59.72 -53.04 62.67 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.45 -29.27 67.87 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.108 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.13 -55.65 30.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.423 0.689 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -38.98 90.29 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.718 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -62.12 -58.32 8.23 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.494 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.87 -36.99 82.89 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG23 ' A' ' 84' ' ' THR . 27.7 mm -63.81 -55.79 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.8 OUTLIER -60.74 -39.46 88.75 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.662 -175.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.26 -24.83 59.34 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.15 -42.8 16.92 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.181 0.991 . . . . 0.0 109.713 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.88 -33.69 14.82 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.84 -171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt 57.72 73.77 0.45 Allowed 'General case' 0 CA--C 1.499 -1.003 0 CA-C-O 122.817 1.294 . . . . 0.0 110.377 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.67 -60.01 2.71 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 112.03 -2.35 . . . . 0.0 110.659 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 171.58 153.83 0.07 Allowed 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -86.31 -24.15 26.01 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.993 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -73.61 -42.67 61.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -77.17 -10.97 59.75 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.305 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.548 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 13.6 t-160 -72.91 -25.49 61.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -96.9 16.2 20.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -131.75 26.94 4.67 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.375 1.083 . . . . 0.0 108.435 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 71' ' ' ARG . 1.9 mm? -84.59 127.98 34.35 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.302 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 79' ' ' ASP . 34.4 mt-10 -106.36 154.88 20.15 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 104.759 -2.312 . . . . 0.0 104.759 175.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.4 ttmt -52.55 -47.01 67.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 118.97 0.805 . . . . 0.0 112.7 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.53 72.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.446 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 76' ' ' GLU . 25.8 t0 -74.76 -32.74 62.16 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.125 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 77' ' ' LYS . 77.1 mt -70.38 -49.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.725 177.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 64.9 mt -60.32 -53.03 62.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.556 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.1 tt0 -61.46 -34.57 75.66 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.785 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 40.2 ttp -62.09 -47.4 84.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.408 HG23 HD11 ' A' ' 61' ' ' ILE . 6.0 m -61.79 -37.92 86.16 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.311 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.555 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 47.2 t -70.41 -47.74 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.708 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -63.73 -40.32 96.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.724 0.773 . . . . 0.0 110.108 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -72.41 -25.21 61.4 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.412 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.8 tp -61.54 -40.35 94.36 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.72 -42.34 91.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.83 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.42 -50.59 73.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.737 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.38 -25.11 64.9 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -80.67 -27.85 36.97 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -3.33 54.59 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.427 -177.267 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.219 -0.529 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.08 -40.93 67.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.998 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.18 -49.6 77.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.898 0.749 . . . . 0.0 109.941 178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.495 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.5 ttm180 -68.52 -46.69 68.9 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.773 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' B' ' 50' ' ' ILE . 41.2 ttm180 -53.43 -51.39 62.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.664 0.786 . . . . 0.0 112.061 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -54.68 -50.24 68.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.45 -37.89 76.39 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.928 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.6 mt -58.54 -51.8 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.49 -40.63 96.04 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 16.4 mm-40 -69.68 -39.61 76.88 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.343 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.8 p -73.52 -37.75 65.53 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 121.914 -0.491 . . . . 0.0 109.867 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.12 -38.33 90.77 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -61.58 -55.12 34.27 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.751 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.58 -32.29 73.8 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.054 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.76 -58.47 7.95 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.619 0.768 . . . . 0.0 109.572 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -53.02 -44.47 67.35 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.205 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 71.7 m -69.52 -50.01 49.15 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.761 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.57 -33.21 68.89 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.665 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mm -66.85 -48.55 79.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.537 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.5 OUTLIER -62.36 -34.39 76.59 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.22 -25.84 52.09 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.86 -29.47 40.07 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -100.96 -29.6 12.11 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.688 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt 58.24 65.66 1.24 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-O 122.72 1.248 . . . . 0.0 112.182 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.585 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 67.2 mttm -82.83 -70.52 0.55 Allowed 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.473 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -174.72 140.38 0.58 Allowed 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -80.12 -21.17 43.5 Favored 'General case' 0 N--CA 1.402 -2.851 0 O-C-N 123.721 0.638 . . . . 0.0 110.755 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 7.8 m -64.63 -49.78 69.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.773 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -20.14 61.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-O 121.332 0.587 . . . . 0.0 110.65 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.476 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.0 t-160 -76.78 -19.75 57.23 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.983 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.8 m -85.48 -10.12 56.52 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.675 0.75 . . . . 0.0 111.954 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -150.22 65.97 0.96 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 75' ' ' LEU . 15.3 tp -107.94 131.4 54.58 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.905 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.405 ' OE2' ' HE2' ' B' ' 74' ' ' LYS . 81.2 mm-40 -83.44 150.5 26.0 Favored 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.165 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.431 ' HG3' HD13 ' B' ' 81' ' ' LEU . 22.8 ttpt -56.73 -36.34 69.62 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 124.108 0.88 . . . . 0.0 112.284 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.68 71.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.421 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.414 ' CG ' HD11 ' B' ' 75' ' ' LEU . 16.0 t70 -78.69 -47.55 16.73 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.441 HG12 HD23 ' B' ' 75' ' ' LEU . 73.6 mt -54.64 -53.47 31.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.385 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -57.94 -51.12 70.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.788 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.3 tt0 -62.55 -37.29 85.55 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.75 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.585 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 42.7 tpp -64.59 -40.47 95.58 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.493 0.663 . . . . 0.0 109.768 -173.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 18.7 m -65.79 -42.4 90.81 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.214 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 81' ' ' LEU . 58.5 t -66.94 -49.31 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.265 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.4 mtmt -60.29 -41.97 94.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' B' ' 65' ' ' LEU . 18.9 t-80 -69.12 -27.51 65.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.062 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.66 -35.95 77.91 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 19.9 mmm180 -73.07 -35.71 66.73 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.93 -41.73 92.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.87 -44.05 77.99 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.56 -28.15 68.95 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -7.33 59.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.617 . . . . 0.0 110.881 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.61 5.37 24.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.67 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 C--N 1.285 -2.214 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.775 -176.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 CA--C 1.507 -0.688 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -66.49 -31.23 71.84 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.641 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -69.44 -44.31 71.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -66.2 -45.03 82.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.507 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.0 ttm180 -61.42 -45.94 92.22 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.858 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.8 ttp180 -61.46 -38.89 88.88 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 123.533 0.521 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.44 -50.46 73.62 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.72 -39.9 86.19 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 123.386 0.429 . . . . 0.0 109.962 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.0 mt -57.35 -55.67 19.54 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 C-N-CA 123.137 0.575 . . . . 0.0 110.246 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.47 -39.98 94.83 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.649 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 45.0 mt-10 -59.15 -45.55 90.7 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 120.955 0.407 . . . . 0.0 111.037 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 -40.9 66.46 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.51 -37.96 88.31 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.373 0.669 . . . . 0.0 109.949 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 t -63.5 -52.39 61.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.22 -32.43 72.62 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.33 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.94 -56.86 15.56 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.087 0.955 . . . . 0.0 110.606 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -63.72 -31.57 72.79 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.913 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.7 m -65.81 -54.21 29.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.04 -38.62 89.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 29.9 mm -63.2 -51.03 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.2 -32.45 74.04 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.621 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 51.3 m-20 -77.76 -25.85 49.44 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.83 -18.57 37.16 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.837 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 21.2 mt -101.38 -34.86 9.43 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.276 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.621 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.7 mmpt? 60.52 39.07 18.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 124.245 0.965 . . . . 0.0 109.889 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE2' HD13 ' A' ' 65' ' ' LEU . 65.0 mttm -64.45 -74.98 0.09 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.392 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -168.09 143.35 3.68 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 36.2 t -86.86 -17.06 34.25 Favored 'General case' 0 N--CA 1.413 -2.279 0 O-C-N 123.353 0.408 . . . . 0.0 110.747 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 m -70.32 -48.01 58.48 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -75.48 -12.75 60.3 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.17 -178.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 16.7 t-80 -60.99 -37.41 82.37 Favored 'General case' 0 C--O 1.223 -0.326 0 O-C-N 123.525 0.515 . . . . 0.0 109.923 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -82.85 -1.2 51.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.249 0.547 . . . . 0.0 111.664 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.33 13.55 17.83 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 109.318 -179.153 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -81.01 111.62 17.66 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.989 175.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -83.47 164.01 20.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 ttmt -50.06 -53.07 29.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.91 67.83 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.505 0.669 . . . . 0.0 111.921 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.26 -38.57 35.16 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.574 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 65.8 mt -70.27 -52.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.143 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.2 mp -50.99 -52.92 37.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.957 0.785 . . . . 0.0 111.861 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 33.5 tt0 -67.08 -36.58 82.31 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.106 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 56.2 ttm -63.38 -37.5 87.5 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.36 0.6 . . . . 0.0 109.607 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 m -65.33 -47.96 74.7 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.336 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 46.1 t -63.04 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.3 mtmt -63.8 -34.11 77.17 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.603 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.451 ' ND1' HD21 ' A' ' 65' ' ' LEU . 42.0 t60 -73.26 -27.2 61.44 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.983 -0.448 . . . . 0.0 110.538 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.42 -36.17 76.44 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 15.1 mmm-85 -66.66 -44.87 80.71 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.029 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.453 ' HA ' ' HE ' ' A' ' 93' ' ' ARG . 96.4 m-20 -55.99 -49.39 73.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.052 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.96 -43.75 98.19 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 123.865 0.728 . . . . 0.0 110.584 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -59.8 -30.13 68.7 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.5 ppt_? -106.31 5.51 29.73 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.757 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 121.841 0.829 . . . . 0.0 109.213 177.333 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 C--O 1.222 -0.353 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -67.15 -46.33 74.37 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 79.5 mtp180 -61.74 -50.19 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.549 178.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' B' ' 50' ' ' ILE . 31.8 ttm180 -56.51 -53.35 58.53 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.42 ' HA ' HD12 ' B' ' 50' ' ' ILE . 31.4 ttp180 -50.91 -46.34 60.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.936 0.895 . . . . 0.0 111.331 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -58.77 -54.07 51.29 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.221 0.608 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 12.1 mpt_? -59.7 -33.31 71.43 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.591 0.557 . . . . 0.0 112.081 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.5 mt -59.64 -51.16 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.044 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -66.15 -40.61 90.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.802 0.334 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 41.5 mt-10 -60.81 -43.42 98.21 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.679 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 21.8 p -76.95 -32.55 57.38 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.094 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.24 -38.65 68.88 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.564 0.697 . . . . 0.0 109.287 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 p -66.55 -45.29 79.85 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.622 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.1 -34.31 74.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.039 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.64 -58.19 8.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.359 1.064 . . . . 0.0 111.066 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 56.6 pttt -61.6 -34.9 76.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.2 m -63.55 -53.83 45.71 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.421 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.81 -31.83 73.24 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.4 HD11 HG23 ' B' ' 84' ' ' THR . 37.1 mm -68.88 -50.92 49.95 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 CA-C-O 121.435 0.636 . . . . 0.0 110.671 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -33.06 74.47 Favored 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.66 -27.95 51.1 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.978 0.511 . . . . 0.0 111.875 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -36.35 58.53 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.784 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.0 mp -101.98 -30.08 11.42 Favored 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 118.576 -1.249 . . . . 0.0 111.802 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt 58.22 62.95 1.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.95 0.881 . . . . 0.0 111.796 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.626 ' HE2' ' SD ' ' B' ' 83' ' ' MET . 35.3 mttp -66.86 -79.12 0.05 Allowed 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 113.563 -1.653 . . . . 0.0 111.408 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 13.2 t70 -174.84 146.25 0.91 Allowed 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -88.08 -16.05 34.58 Favored 'General case' 0 N--CA 1.409 -2.491 0 C-N-CA 119.544 -0.862 . . . . 0.0 112.331 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 32.7 t -71.78 -44.55 63.81 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 9.2 ptp180 -65.3 -36.88 85.42 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.513 ' HA ' HD12 ' B' ' 75' ' ' LEU . 25.5 t60 -57.99 -28.64 64.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.069 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -83.2 -2.93 56.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.764 0.792 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -120.54 11.78 11.4 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.614 1.197 . . . . 0.0 108.352 178.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 33.7 mt -84.87 115.21 22.64 Favored 'General case' 0 N--CA 1.408 -2.561 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.655 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 89.6 mt-10 -92.11 166.52 12.61 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.893 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.501 ' HD2' HD13 ' A' ' 50' ' ' ILE . 32.5 ttmt -49.49 -49.88 43.86 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.533 0.733 . . . . 0.0 112.94 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.83 70.02 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.182 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 6.7 m-20 -78.62 -47.37 17.24 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.948 0.88 . . . . 0.0 108.788 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 86.6 mt -57.44 -49.47 80.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.859 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.4 mp -51.31 -52.82 41.86 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.414 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.684 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 33.0 tt0 -67.92 -33.26 74.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.888 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.626 ' SD ' ' HE2' ' B' ' 67' ' ' LYS . 50.5 tpp -63.4 -36.9 85.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.779 0.799 . . . . 0.0 109.229 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.4 HG23 HD11 ' B' ' 61' ' ' ILE . 19.3 m -65.62 -47.39 75.79 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.031 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 81' ' ' LEU . 39.6 t -64.76 -40.51 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.341 0.591 . . . . 0.0 110.528 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.6 mtmt -67.2 -35.25 79.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.057 0.456 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.586 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.9 t-160 -72.29 -27.96 62.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.89 97.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -61.06 -44.58 97.17 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.449 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 92.2 m-20 -56.08 -45.99 79.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.75 -43.34 72.44 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.693 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.52 -12.1 40.99 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -101.2 -10.21 20.59 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.646 0.736 . . . . 0.0 110.395 -176.308 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.33 -0.94 40.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.435 -1.182 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 CA--C 1.495 -1.143 0 CA-C-O 120.625 0.25 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.64 -32.43 67.93 Favored 'General case' 0 C--O 1.209 -1.031 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.708 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.33 -44.26 88.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.105 0.479 . . . . 0.0 110.644 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.23 -37.01 85.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.505 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.9 ttm180 -66.07 -46.51 77.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.815 175.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 50' ' ' ILE . 32.8 ttp180 -61.44 -39.67 91.69 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 124.473 1.109 . . . . 0.0 111.712 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.89 -47.19 83.53 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -60.6 -42.82 97.55 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.858 0.723 . . . . 0.0 110.965 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' ARG . 93.3 mt -54.46 -52.6 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 123.199 0.6 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.49 -45.19 84.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.991 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 13.3 mm-40 -63.91 -35.22 79.93 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.385 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -75.18 -48.47 23.41 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.8 tt -62.28 -36.44 82.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.737 0.779 . . . . 0.0 110.241 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -68.59 -42.52 78.08 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.062 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.67 -30.89 63.18 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.237 -0.914 . . . . 0.0 109.708 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.5 tm? -51.35 -59.37 4.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.26 1.824 . . . . 0.0 109.278 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.892 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -66.04 -54.44 25.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.758 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.88 -32.69 72.53 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.547 HG23 ' ND1' ' A' ' 87' ' ' HIS . 11.7 mm -62.41 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.011 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 ' ND1' ' A' ' 72' ' ' HIS . 7.5 tp -71.21 -31.84 68.1 Favored 'General case' 0 C--O 1.183 -2.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.382 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 -27.28 61.18 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.297 0.57 . . . . 0.0 111.593 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.94 59.12 Favored 'General case' 0 N--CA 1.423 -1.817 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.97 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' ND1' ' A' ' 87' ' ' HIS . 7.3 mp -104.64 -30.63 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt 56.38 58.93 3.9 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.048 0.939 . . . . 0.0 113.094 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.57 -72.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.566 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -162.22 144.87 11.37 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 124.182 0.993 . . . . 0.0 109.545 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 t -78.45 -32.73 48.63 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -60.31 -47.23 86.92 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.151 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.64 -16.55 59.52 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.322 -177.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.454 ' ND1' HD22 ' A' ' 62' ' ' LEU . 47.7 t60 -71.97 -30.93 65.78 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -91.59 10.5 27.78 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.403 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -131.02 24.68 4.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 38.7 mt -82.38 115.68 21.53 Favored 'General case' 0 N--CA 1.415 -2.19 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.979 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.12 151.2 31.5 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 ttmp? -54.52 -41.7 69.97 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.313 0.578 . . . . 0.0 111.466 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -26.28 65.96 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.9 -46.71 34.16 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.5 mt -58.79 -51.37 72.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.6 mp -55.61 -53.03 61.53 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.9 tt0 -62.99 -33.81 76.21 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.634 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.23 -39.86 82.2 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.519 HG21 HD21 ' A' ' 57' ' ' LEU . 12.5 m -67.64 -45.69 74.59 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.676 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 61.9 t -64.4 -41.46 92.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.588 0.709 . . . . 0.0 110.57 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.74 -39.26 87.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.211 0.529 . . . . 0.0 111.013 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 61' ' ' ILE . 34.7 m170 -67.17 -26.92 66.88 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.747 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.9 tp -58.36 -48.26 81.15 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 5.5 mpt_? -57.53 -48.71 78.55 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.865 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 93' ' ' ARG . 84.4 m-20 -54.87 -51.24 66.58 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.12 -17.22 59.69 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -74.92 -38.33 61.83 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.293 0.568 . . . . 0.0 109.875 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.6 ppt_? -100.79 17.36 22.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.055 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.894 0 CA-C-O 121.508 0.67 . . . . 0.0 109.907 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 12.3 pt-20 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.27 -40.56 70.85 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.547 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -60.03 -41.63 92.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.832 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.606 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.2 ttm180 -61.32 -57.76 11.0 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.588 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' B' ' 43' ' ' GLU 0.364 15.2 ptt180 -66.31 -32.59 74.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -176.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -60.48 -46.42 90.17 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -31.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.606 HG13 ' O ' ' B' ' 46' ' ' ARG . 87.3 mt -58.87 -54.78 29.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -60.52 -47.79 84.62 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.083 0.153 . . . . 0.0 110.988 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 14.5 mm-40 -60.38 -40.8 92.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.912 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -76.35 -40.36 51.46 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.654 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -61.41 -39.25 90.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.952 0.901 . . . . 0.0 108.863 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -63.82 -45.78 88.08 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.841 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.27 -28.69 59.9 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.708 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' B' ' 84' ' ' THR . 2.0 tm? -54.69 -59.0 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 126.128 1.771 . . . . 0.0 107.353 174.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.41 -47.62 78.63 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.232 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -59.77 -59.87 4.74 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.585 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.63 -30.51 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 33.0 mm -66.04 -52.81 44.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.113 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.73 -22.35 62.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 12.9 t70 -78.87 -26.32 43.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.402 0.62 . . . . 0.0 111.04 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 -31.71 25.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 20.3 mt -96.09 -38.14 10.31 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 39.9 mtmt 48.44 68.89 0.62 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 112.834 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -75.45 -60.69 2.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.12 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.99 145.96 1.92 Allowed 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.2 m -87.6 -15.67 36.69 Favored 'General case' 0 C--N 1.277 -2.564 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.273 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -45.38 62.38 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -6.83 59.35 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.64 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.28 -36.12 68.25 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 36.9 m -84.1 10.58 9.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.121 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.617 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -138.81 76.58 1.58 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.702 1.239 . . . . 0.0 109.864 175.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.2 mm? -128.16 126.21 40.62 Favored 'General case' 0 N--CA 1.405 -2.707 0 CA-C-N 113.208 -1.814 . . . . 0.0 108.506 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -93.0 152.32 19.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.458 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.0 ttmt -48.05 -48.15 33.34 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.54 71.07 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.638 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.21 -39.15 33.98 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.732 -175.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 57' ' ' LEU . 63.9 mt -64.09 -49.48 81.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.341 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.37 -48.94 68.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.836 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -64.89 -39.88 94.23 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.626 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 45.3 ttm -66.33 -31.65 72.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.57 . . . . 0.0 109.571 -174.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 7.2 m -70.1 -48.48 57.47 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.841 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 46.7 t -63.41 -39.23 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.645 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.2 mtmt -68.91 -36.66 78.29 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 121.677 -0.64 . . . . 0.0 110.955 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.488 ' CD2' HD21 ' B' ' 65' ' ' LEU . 21.1 t-160 -69.5 -27.82 65.52 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.632 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.8 tp -59.82 -45.89 90.95 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.321 175.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 5.3 mpt_? -58.64 -48.42 81.09 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -54.81 -50.31 68.86 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 123.871 0.732 . . . . 0.0 111.999 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.18 -43.33 87.2 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.072 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.04 -14.32 53.45 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 8.3 ppt_? -113.42 7.75 17.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.178 0.513 . . . . 0.0 111.146 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.43 -11.06 38.77 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.829 0.823 . . . . 0.0 108.997 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.421 -1.878 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.9 -174.304 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 CA--C 1.507 -0.673 0 CA-C-O 120.945 0.403 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.72 -27.69 55.53 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.285 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? -69.31 -37.47 77.77 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -66.71 -44.38 81.82 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.002 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 50' ' ' ILE . 49.6 ttp180 -55.66 -51.03 68.62 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.4 ttt180 -53.26 -40.0 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.826 1.251 . . . . 0.0 112.123 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.41 -53.32 58.12 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 123.586 0.554 . . . . 0.0 110.429 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -67.27 -25.49 66.09 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.685 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 47' ' ' ARG . 82.0 mt -60.37 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -61.9 -42.96 99.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.618 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 52.8 mt-10 -56.85 -39.48 74.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.812 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -77.02 -40.11 47.7 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.108 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -63.21 -40.43 97.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.302 0.641 . . . . 0.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.24 -51.37 66.51 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.434 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' HG3' HG11 ' B' ' 85' ' ' VAL . 12.1 pt20 -68.26 -31.04 70.23 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.504 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 6.8 tt -53.32 -58.24 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.428 1.091 . . . . 0.0 109.229 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 26.6 ttpp -55.55 -47.12 76.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.597 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.2 m -61.14 -47.48 86.02 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.396 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.77 -37.85 58.87 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 34.5 mm -61.97 -44.96 99.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.147 0.499 . . . . 0.0 109.852 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.607 HD21 ' CG ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -61.47 -36.68 81.1 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.355 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 10.9 t70 -76.18 -25.0 54.78 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.977 0.418 . . . . 0.0 112.069 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.12 -26.15 31.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.428 0.632 . . . . 0.0 110.105 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD21 ' CD2' ' A' ' 87' ' ' HIS . 18.1 mt -105.12 -39.85 6.07 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.663 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.588 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 41.0 mtmt 44.19 58.82 3.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 124.502 1.121 . . . . 0.0 111.274 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HD2' ' NE2' ' A' ' 72' ' ' HIS . 93.5 mttt -67.54 -66.32 0.58 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.938 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.596 ' HB3' ' HG2' ' A' ' 71' ' ' ARG . 34.3 t0 -169.85 138.23 1.77 Allowed 'General case' 0 CA--C 1.472 -2.026 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.3 m -78.12 -21.86 49.73 Favored 'General case' 0 C--N 1.262 -3.208 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.945 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -66.15 -54.95 19.19 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.679 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -66.58 -36.58 82.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.287 0.565 . . . . 0.0 110.947 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.607 ' CG ' HD21 ' A' ' 62' ' ' LEU . 80.5 m-70 -77.6 8.58 4.19 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.2 m -105.24 9.02 34.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.867 0.841 . . . . 0.0 109.147 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -135.73 24.69 3.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.599 HD22 ' HD1' ' A' ' 72' ' ' HIS . 1.3 tp -85.22 118.53 24.83 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-O 121.741 0.781 . . . . 0.0 111.225 -175.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -76.17 157.93 32.23 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.211 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HD2' HD13 ' B' ' 50' ' ' ILE . 34.1 ttmt -51.92 -46.45 64.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.412 0.625 . . . . 0.0 110.861 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -31.59 67.43 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.18 -42.29 26.43 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.681 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.453 HG12 HD23 ' A' ' 75' ' ' LEU . 70.4 mt -63.47 -47.64 90.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.495 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.1 mp -57.27 -53.04 62.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.634 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 13.9 tt0 -56.19 -40.12 73.47 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.433 ' HB3' ' HE2' ' A' ' 83' ' ' MET . 44.2 ttp -68.05 -34.43 76.44 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.187 0.518 . . . . 0.0 109.763 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.443 HG23 HD11 ' A' ' 61' ' ' ILE . 26.3 m -69.55 -45.09 69.56 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.093 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 81' ' ' LEU . 38.5 t -67.77 -41.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.682 0.753 . . . . 0.0 110.358 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.604 ' HG2' HH21 ' A' ' 89' ' ' ARG . 62.1 mttt -72.21 -30.12 64.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.555 ' CD2' HD21 ' A' ' 65' ' ' LEU . 12.1 t-160 -69.91 -28.42 65.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.2 tt -59.07 -50.57 73.58 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.604 HH21 ' HG2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.09 -35.05 78.96 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.029 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 89.4 m-20 -63.49 -42.85 98.54 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.188 0.518 . . . . 0.0 110.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' B' ' 91' ' ' LEU . 86.9 mt -69.66 -43.22 73.0 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.934 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -66.28 -25.32 66.81 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.67 -2.89 58.83 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.266 0.555 . . . . 0.0 110.688 -178.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.897 0 CA-C-O 121.758 0.79 . . . . 0.0 110.008 179.816 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 CA--C 1.502 -0.867 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -71.65 -42.71 67.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.464 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -58.41 -53.63 56.09 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.436 1.085 . . . . 0.0 109.836 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 50' ' ' ILE . 36.1 ttm180 -57.64 -56.17 25.31 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.665 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -53.61 -49.39 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.887 0.875 . . . . 0.0 111.709 -176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.77 -50.8 72.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.301 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -62.53 -33.12 74.27 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 77' ' ' LYS . 95.1 mt -61.52 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -65.85 -39.92 91.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.829 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.4 mm-40 -63.81 -41.22 97.93 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.669 0.606 . . . . 0.0 112.301 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 14.5 p -75.82 -38.49 58.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.333 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.86 -35.28 80.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -64.33 -52.03 60.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.221 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.449 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.6 pt20 -67.82 -31.77 71.86 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.328 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.13 -58.12 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.062 0.945 . . . . 0.0 109.311 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -50.88 -41.89 58.63 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 125.604 1.562 . . . . 0.0 110.893 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 m -67.44 -56.21 10.53 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.517 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -38.09 81.89 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 29.3 mm -67.16 -50.03 67.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -30.38 69.39 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 119.064 -1.054 . . . . 0.0 108.868 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.621 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 65.3 m-20 -79.67 -24.95 41.45 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.29 27.26 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.649 -0.82 . . . . 0.0 112.296 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.421 ' N ' HD12 ' B' ' 65' ' ' LEU . 4.9 mp -97.27 -24.22 15.78 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.26 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.621 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 10.3 mmpt? 58.0 62.12 2.15 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.5 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.66 -78.25 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.839 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 71' ' ' ARG . 7.4 t0 176.94 150.74 0.16 Allowed 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 m -86.33 -18.57 31.59 Favored 'General case' 0 C--N 1.276 -2.596 0 O-C-N 123.469 0.481 . . . . 0.0 111.5 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -66.67 -52.24 47.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.709 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.459 ' HG2' ' HB3' ' B' ' 68' ' ' ASP . 0.2 OUTLIER -65.56 -32.82 74.62 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 121.337 0.589 . . . . 0.0 110.366 178.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.0 -15.45 61.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.783 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -66.22 -17.71 64.9 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.765 0.793 . . . . 0.0 111.224 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.521 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -142.62 73.6 1.41 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.595 174.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' B' ' 79' ' ' ASP . 4.2 tp -115.87 126.73 54.33 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -78.44 159.99 27.97 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 77' ' ' LYS . 30.8 ttmt -54.47 -39.74 67.76 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.586 0.708 . . . . 0.0 110.799 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.78 71.85 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.496 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.441 ' HB2' ' HG ' ' B' ' 75' ' ' LEU . 64.8 m-20 -79.09 -44.05 22.88 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.801 0.81 . . . . 0.0 109.017 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -49.06 83.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.3 mp -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.828 0.346 . . . . 0.0 110.899 176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.7 tt0 -59.86 -38.65 82.73 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.225 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 33.8 tpp -70.59 -27.34 64.03 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.338 0.59 . . . . 0.0 109.914 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.516 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 21.6 m -70.78 -44.02 67.52 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.505 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 39.1 t -70.56 -39.22 75.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.314 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.3 mttt -69.45 -35.85 76.06 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 122.091 -0.381 . . . . 0.0 111.182 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -65.4 -31.87 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.9 tp -58.29 -47.35 83.92 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.993 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -59.54 -42.29 91.98 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.193 0.308 . . . . 0.0 110.817 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -59.83 -48.78 80.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.413 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 91' ' ' LEU . 93.8 mt -72.4 -25.91 61.67 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.131 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -73.34 -31.38 63.94 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 120.857 0.361 . . . . 0.0 111.424 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.86 8.1 45.12 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.15 -31.15 72.24 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.696 0.76 . . . . 0.0 109.448 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.407 -2.612 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.418 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 CA--C 1.492 -1.276 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.25 -24.53 60.47 Favored 'General case' 0 C--O 1.214 -0.81 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.645 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -71.9 -44.96 62.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.26 -45.77 92.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.573 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 50' ' ' ILE . 37.2 ttm180 -57.27 -49.79 74.95 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.734 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 50' ' ' ILE . 51.0 ttt180 -55.31 -46.98 76.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.994 0.918 . . . . 0.0 111.194 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.54 85.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.45 ' HB3' ' HB1' ' B' ' 78' ' ' ALA . 0.5 OUTLIER -59.48 -38.71 81.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 122.883 0.473 . . . . 0.0 111.64 178.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.8 mt -60.03 -52.85 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.544 0.738 . . . . 0.0 109.732 176.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.6 -43.32 99.12 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.606 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.85 -43.23 99.36 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.713 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -73.56 -36.33 65.6 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.542 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 1.9 tt -68.72 -37.16 79.27 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -66.85 -52.44 43.59 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -62.59 -32.02 72.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.965 0.412 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 7.9 tt -57.69 -58.54 7.88 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 123.992 0.917 . . . . 0.0 110.354 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.5 -28.39 69.63 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 178.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -68.91 -53.0 23.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.172 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.28 -38.43 75.06 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 84' ' ' THR . 28.7 mm -59.57 -52.61 58.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 121.368 0.604 . . . . 0.0 111.413 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -33.03 75.01 Favored 'General case' 0 C--O 1.204 -1.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.34 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 15.5 t70 -77.38 -31.42 54.24 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.351 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.82 64.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 87' ' ' HIS . 4.6 mp -109.39 -21.41 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.55 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER 56.11 41.49 29.47 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 124.945 1.298 . . . . 0.0 109.845 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 68.1 mttm -49.67 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.642 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 14.1 t70 -172.0 140.05 1.18 Allowed 'General case' 0 CA--C 1.479 -1.777 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 m -87.86 -16.47 33.91 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 58.0 m -70.06 -40.16 75.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.108 -0.37 . . . . 0.0 110.173 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 10.4 ptp180 -72.16 -39.03 69.01 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 55.9 t60 -50.77 -39.66 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 111.811 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 p -91.12 18.2 7.15 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.409 0.623 . . . . 0.0 111.87 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -142.38 19.83 2.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 21.0 mt -76.44 123.18 25.61 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.327 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.24 150.6 23.8 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.7 ttmt -47.47 -45.63 26.26 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.29 74.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.01 -40.49 53.47 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.914 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.3 mt -62.34 -47.52 92.67 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.211 -1.358 . . . . 0.0 110.642 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 70.0 mt -59.62 -51.89 67.86 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.059 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 15.8 tt0 -58.63 -38.87 78.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.458 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.409 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 36.3 tpp -63.45 -35.47 80.55 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.979 0.895 . . . . 0.0 108.842 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 61' ' ' ILE . 18.4 m -75.48 -43.7 47.9 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.887 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.7 t -64.0 -46.2 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 109.913 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 37.8 mttm -63.37 -32.96 74.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.341 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' HD11 ' A' ' 65' ' ' LEU . 11.6 t-160 -72.39 -29.64 63.94 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.213 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.1 pp -72.73 -29.03 63.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 7.4 mmm-85 -64.78 -45.47 86.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.68 -50.76 72.59 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' B' ' 91' ' ' LEU . 40.0 mt -61.55 -41.99 98.17 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.857 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.37 -27.78 69.31 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -4.13 26.28 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.457 0.646 . . . . 0.0 111.386 -177.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 120.333 0.111 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -70.92 -43.33 68.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -59.77 -46.27 89.68 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.163 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.633 ' O ' HG13 ' B' ' 50' ' ' ILE . 21.9 ttm180 -57.03 -56.26 24.1 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 124.107 0.879 . . . . 0.0 109.427 174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' B' ' 50' ' ' ILE . 46.4 ttp180 -54.98 -46.78 75.13 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -60.46 -46.47 89.93 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.97 -26.96 64.34 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.208 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.4 mt -59.88 -50.89 78.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.18 -44.38 95.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.929 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 47.9 mt-10 -55.55 -47.74 75.87 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.236 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -74.76 -44.15 51.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.283 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.83 -41.1 99.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.765 0.426 . . . . 0.0 110.135 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -61.34 -53.64 54.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.183 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -30.61 69.53 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.183 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.54 -58.04 9.75 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.79 -42.2 75.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.063 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -62.52 -57.58 10.68 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.178 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.83 -34.08 77.34 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.957 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.459 HD11 HD22 ' A' ' 88' ' ' LEU . 26.7 mm -64.71 -47.56 88.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.552 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.406 ' O ' HD13 ' B' ' 62' ' ' LEU . 1.0 OUTLIER -66.79 -26.97 67.21 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.469 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 29.3 t70 -82.71 -31.18 28.64 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.379 0.609 . . . . 0.0 112.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.1 41.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.218 0.532 . . . . 0.0 110.508 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.5 mp -97.3 -38.14 9.78 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.726 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 30.8 mtmt 54.79 69.34 0.74 Allowed 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.986 0.898 . . . . 0.0 111.864 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -75.81 -73.09 0.28 Allowed 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.511 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.4 149.49 7.09 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -87.04 -15.46 38.55 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.721 0.638 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -77.05 -43.11 35.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.481 0.658 . . . . 0.0 109.319 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -10.92 60.05 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.825 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.68 ' HA ' HD23 ' B' ' 75' ' ' LEU . 76.9 t60 -65.87 -30.27 70.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.01 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -79.36 -4.32 50.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.651 0.739 . . . . 0.0 111.505 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -121.59 27.26 8.32 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.532 1.158 . . . . 0.0 108.484 -176.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -79.74 119.17 22.29 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.976 174.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.96 151.62 19.42 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.499 ' HD2' HD13 ' A' ' 50' ' ' ILE . 33.8 ttmt -52.01 -45.7 64.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 118.75 0.705 . . . . 0.0 110.931 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -61.91 -30.5 70.93 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.639 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -79.79 -42.14 25.04 Favored 'General case' 0 C--O 1.198 -1.652 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 77' ' ' LYS . 75.3 mt -58.74 -53.26 49.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.516 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.522 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.9 mp -55.91 -52.54 63.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.497 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 22.1 tt0 -61.02 -37.35 82.25 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.555 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.16 -32.63 74.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.588 0.708 . . . . 0.0 109.209 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.402 ' OG1' HG13 ' B' ' 61' ' ' ILE . 24.6 m -74.99 -43.72 52.3 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.993 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 81' ' ' LEU . 59.5 t -66.66 -41.76 88.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 79.3 mttt -65.39 -32.05 73.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.507 ' CE1' HD11 ' B' ' 91' ' ' LEU . 11.8 t-80 -66.21 -34.52 78.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.079 174.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -61.27 -43.99 97.97 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' B' ' 86' ' ' LYS . 14.7 mmm-85 -64.39 -43.98 92.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.064 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 80.1 m-20 -58.37 -50.32 74.1 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' B' ' 87' ' ' HIS . 94.7 mt -63.9 -42.77 97.37 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.967 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -69.66 -12.21 61.45 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -105.22 1.31 28.07 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.442 0.639 . . . . 0.0 110.996 -178.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.64 11.91 25.02 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.45 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.25 1.108 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -178.248 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.74 -24.44 58.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -69.92 -42.75 72.9 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 79.8 mtp180 -57.5 -43.63 84.36 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.531 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -63.59 -52.01 62.82 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.574 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HA ' HD12 ' A' ' 50' ' ' ILE . 53.3 ttt180 -54.01 -45.84 71.61 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 123.568 0.747 . . . . 0.0 111.107 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.67 -49.1 78.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.981 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ARG . 38.3 mtm180 -61.61 -35.93 79.26 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 123.282 0.364 . . . . 0.0 111.395 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.5 mt -57.98 -52.38 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.13 -41.65 99.35 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 34.5 mm-40 -59.45 -41.97 90.88 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.439 0.462 . . . . 0.0 111.874 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 18.1 m -76.48 -41.91 45.49 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -64.29 -42.39 96.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.581 0.752 . . . . 0.0 110.073 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 m -68.53 -42.17 78.87 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.055 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.35 -31.18 65.4 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.83 -0.544 . . . . 0.0 110.175 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 2.0 tm? -53.57 -58.72 6.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.856 1.662 . . . . 0.0 108.067 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -55.4 -50.28 70.16 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.267 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.4 m -56.57 -58.09 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.302 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.51 -32.8 74.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.54 HD11 HG23 ' A' ' 84' ' ' THR . 45.8 mm -69.44 -49.71 57.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 20.4 t70 -78.63 -39.13 38.01 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 123.913 0.885 . . . . 0.0 112.549 -178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -37.46 59.95 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.115 0.483 . . . . 0.0 110.794 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 87' ' ' HIS . 6.0 mp -94.2 -28.15 15.8 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.708 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 27.3 mtmt 52.39 58.37 5.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 123.052 1.406 . . . . 0.0 109.049 -176.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 30.0 mmmt -51.23 -70.44 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 110.783 -2.917 . . . . 0.0 111.209 -175.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 34.2 t70 178.5 147.5 0.17 Allowed 'General case' 0 CA--C 1.467 -2.225 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -87.21 -20.56 26.77 Favored 'General case' 0 N--CA 1.399 -2.992 0 O-C-N 123.611 0.569 . . . . 0.0 111.852 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 70.4 m -78.41 -37.7 43.25 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.283 0.564 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.531 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.23 -6.58 59.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.492 0.663 . . . . 0.0 110.315 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 25.1 t-80 -90.22 170.36 10.35 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m 76.15 -54.25 0.6 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.939 1.295 . . . . 0.0 111.924 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 38.81 1.28 Allowed 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 13.2 tp -94.26 110.8 22.52 Favored 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 112.967 -1.924 . . . . 0.0 106.23 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.64 149.6 41.89 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.918 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.2 ttmt -48.57 -44.92 37.13 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 123.843 0.857 . . . . 0.0 112.746 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.97 72.0 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.903 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.24 -36.52 39.82 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.662 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 95.5 mt -60.52 -54.59 32.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.036 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 77' ' ' LYS . 9.0 mp -55.15 -52.88 61.87 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.901 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 pt-20 -71.48 -23.8 61.88 Favored 'General case' 0 C--O 1.189 -2.114 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.536 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 38.6 tpp -64.51 -42.91 95.51 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.664 0.745 . . . . 0.0 109.052 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.571 HG21 ' CD2' ' A' ' 57' ' ' LEU . 6.2 m -60.63 -44.09 96.76 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.523 176.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 87.4 t -61.35 -41.7 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.434 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 52.4 mttm -65.33 -42.89 92.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.508 ' CD2' HD21 ' B' ' 88' ' ' LEU . 27.2 t60 -66.77 -26.95 67.21 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.511 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 13.8 tp -63.46 -43.14 98.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 11.2 mmm-85 -65.54 -43.51 89.72 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.111 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -55.82 -55.14 36.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.071 0.857 . . . . 0.0 111.022 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.99 -35.43 80.67 Favored 'General case' 0 C--O 1.205 -1.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.382 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -67.41 -23.5 65.56 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 8.4 ppt_? -111.9 16.12 20.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.273 0.558 . . . . 0.0 111.419 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.45 0 CA-C-O 121.598 0.714 . . . . 0.0 110.441 178.012 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -72.22 -41.8 66.47 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -59.08 -48.93 79.81 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 50' ' ' ILE . 33.3 ttm180 -60.3 -55.04 38.56 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.101 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.9 ttt180 -51.79 -47.78 64.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.61 0.764 . . . . 0.0 110.498 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.83 -52.76 63.83 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.905 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -64.28 -31.33 72.48 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 123.144 0.277 . . . . 0.0 110.985 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.2 mt -61.49 -49.45 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.31 0.576 . . . . 0.0 109.507 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -66.2 -39.03 89.37 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.274 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.7 mm-40 -58.46 -44.19 89.15 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 123.565 0.54 . . . . 0.0 111.099 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.3 p -76.04 -43.29 44.63 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.404 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.31 -42.71 96.12 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.564 0.697 . . . . 0.0 109.487 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.5 m -65.73 -48.11 73.06 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.786 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.32 -29.65 66.43 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.481 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -55.83 -58.41 7.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.071 0.948 . . . . 0.0 110.69 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' B' ' 80' ' ' ILE . 59.5 pttt -63.1 -36.26 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -59.17 -57.17 14.23 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 123.899 0.749 . . . . 0.0 110.65 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.22 -36.35 74.49 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mm -63.09 -49.56 82.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.451 0.643 . . . . 0.0 110.562 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.422 ' HG ' ' CD2' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.99 -34.91 78.77 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.534 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.3 t70 -77.41 -25.67 50.96 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 123.289 0.636 . . . . 0.0 111.798 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.29 -36.66 63.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.964 0.411 . . . . 0.0 110.232 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.7 mp -96.18 -32.21 12.59 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.759 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 24.5 mtmt 55.89 58.42 4.44 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-O 122.618 1.199 . . . . 0.0 109.751 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -63.59 -69.68 0.26 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 112.347 -2.206 . . . . 0.0 111.189 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' B' ' 70' ' ' SER . 13.7 t70 179.98 147.25 0.26 Allowed 'General case' 0 CA--C 1.47 -2.1 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -86.77 -23.95 25.25 Favored 'General case' 0 N--CA 1.399 -3.011 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.98 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . 0.524 ' HB2' ' OD2' ' B' ' 68' ' ' ASP . 35.2 m -69.11 -43.28 74.79 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.173 0.511 . . . . 0.0 109.721 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.53 HH12 HD21 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -76.23 -9.55 58.72 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.067 176.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.422 ' CD2' ' HG ' ' B' ' 62' ' ' LEU . 35.2 t-80 -86.97 -22.76 25.38 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 39.0 m -90.03 6.43 42.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.633 0.73 . . . . 0.0 110.982 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -141.19 74.4 1.46 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.53 HD21 HH12 ' B' ' 71' ' ' ARG . 28.5 mt -135.12 124.6 24.94 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.565 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -88.28 157.97 18.6 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.478 ' O ' HD13 ' B' ' 81' ' ' LEU . 31.9 ttmt -50.84 -46.09 59.96 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.128 0.571 . . . . 0.0 112.175 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.87 71.6 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.84 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -75.96 -39.96 54.93 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.143 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' B' ' 58' ' ' LYS . 80.7 mt -61.13 -48.16 90.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.087 176.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 77' ' ' LYS . 7.0 mp -58.46 -51.31 70.39 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.647 177.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.4 tt0 -62.79 -38.25 89.92 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.824 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.8 ttp -61.39 -37.29 82.89 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.505 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 27.3 m -67.13 -49.87 63.34 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.689 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.0 t -60.53 -46.45 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 121.144 0.497 . . . . 0.0 110.677 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.9 mtmt -64.31 -37.88 89.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.128 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.584 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.8 t-160 -67.4 -29.58 69.12 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.307 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 87' ' ' HIS . 1.1 tm? -67.34 -35.65 79.83 Favored 'General case' 0 N--CA 1.418 -2.038 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -68.79 -35.19 76.72 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.647 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' B' ' 93' ' ' ARG . 59.2 m-20 -62.04 -46.64 88.29 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.898 0.856 . . . . 0.0 109.158 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.519 ' HA ' HE22 ' B' ' 95' ' ' GLN . 94.4 mt -66.16 -39.74 90.02 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.877 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.91 -17.22 63.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -96.48 -23.39 16.59 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 116.27 -2.172 . . . . 0.0 109.973 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.538 ' HB3' HE21 ' B' ' 95' ' ' GLN . . . -95.48 -17.66 21.3 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.538 HE21 ' HB3' ' B' ' 94' ' ' ALA . 1.1 mt-30 . . . . . 0 C--N 1.309 -1.194 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 CA--C 1.507 -0.683 0 CA-C-O 120.569 0.223 . . . . 0.0 111.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.0 -24.94 59.65 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.406 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -75.62 -37.25 59.89 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.345 0.593 . . . . 0.0 109.574 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.23 -44.77 71.33 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.304 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.1 ttm180 -58.99 -47.22 85.97 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.272 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -51.83 -48.1 64.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.185 0.994 . . . . 0.0 111.382 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.64 -48.28 79.91 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -61.61 -43.37 98.98 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.691 0.62 . . . . 0.0 111.075 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' ARG . 88.4 mt -54.99 -52.68 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 121.156 0.503 . . . . 0.0 110.422 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.33 -44.1 97.28 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 37.8 mm-40 -64.63 -37.4 87.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 p -77.26 -34.96 55.67 Favored 'General case' 0 N--CA 1.427 -1.605 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.272 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -73.52 -37.2 65.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.614 0.721 . . . . 0.0 109.403 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -70.65 -41.43 72.13 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.597 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.36 -31.56 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 9.3 tt -56.52 -58.25 8.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 110.233 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -60.75 -36.92 80.13 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.145 0.278 . . . . 0.0 110.982 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -64.0 -51.96 61.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.278 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.16 -27.74 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.416 HD11 HG23 ' A' ' 84' ' ' THR . 24.4 mm -69.78 -55.53 14.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 CA-C-O 121.207 0.527 . . . . 0.0 109.935 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -31.35 67.28 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.771 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 11.8 t70 -81.66 -27.71 33.92 Favored 'General case' 0 C--O 1.203 -1.378 0 C-N-CA 123.425 0.69 . . . . 0.0 111.67 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.85 61.49 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.438 -0.789 . . . . 0.0 111.569 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 65' ' ' LEU . 1.7 mp -115.98 -37.97 3.75 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.91 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.771 ' HE3' ' O ' ' A' ' 63' ' ' ASP 0.315 92.0 mttt 69.43 75.61 0.23 Allowed 'General case' 0 CA--C 1.468 -2.2 0 CA-C-O 123.667 1.699 . . . . 0.0 112.154 -176.057 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.21 -71.03 0.43 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 110.931 -2.85 . . . . 0.0 109.657 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.549 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 38.5 t70 -173.45 126.84 0.42 Allowed 'General case' 0 CA--C 1.467 -2.217 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 30.7 p -84.34 -15.4 46.62 Favored 'General case' 0 N--CA 1.4 -2.958 0 C-N-CA 120.025 -0.67 . . . . 0.0 112.175 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.549 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 44.9 m -71.75 -43.52 65.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.516 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -75.38 -12.53 60.27 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 120.807 0.337 . . . . 0.0 110.458 176.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.831 ' HA ' HD23 ' A' ' 75' ' ' LEU . 40.8 t-80 -65.76 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 109.528 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.3 m -82.47 -0.36 46.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.892 0.853 . . . . 0.0 110.349 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.67 19.51 6.16 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -81.67 119.33 23.69 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.665 -178.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 80' ' ' ILE . 80.4 mt-10 -97.37 152.43 18.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.0 ttpt -47.84 -46.92 31.51 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.2 73.65 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.131 0.491 . . . . 0.0 112.007 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.38 -39.22 59.41 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.531 HG13 HD12 ' A' ' 75' ' ' LEU . 70.0 mt -66.01 -51.45 60.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.196 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 mp -53.53 -53.39 52.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.896 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.1 tt0 -63.51 -35.51 80.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.2 ttm -65.11 -37.66 88.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.737 0.779 . . . . 0.0 109.339 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.416 HG23 HD11 ' A' ' 61' ' ' ILE . 25.3 m -71.92 -43.11 65.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.464 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 40.7 t -64.04 -45.96 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 72.2 mttt -65.72 -36.4 83.51 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.495 -178.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -70.44 -26.34 63.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.25 -34.44 74.79 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 22.7 mmm180 -67.46 -38.16 84.04 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.66 -51.55 69.46 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.291 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.03 -32.88 74.61 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.447 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 11.8 mm-40 -72.97 -11.84 60.72 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -2.4 12.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.898 0 C-N-CA 125.842 1.657 . . . . 0.0 111.279 179.772 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 120.366 0.127 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -74.77 -42.43 58.17 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -60.65 -43.83 97.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.853 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.474 ' O ' HG13 ' B' ' 50' ' ' ILE . 39.5 ttm180 -61.54 -50.44 72.68 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.778 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' B' ' 50' ' ' ILE . 73.4 ttt180 -55.63 -48.48 74.88 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.411 0.685 . . . . 0.0 111.576 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.03 -48.55 81.19 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.974 0.509 . . . . 0.0 110.052 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -37.31 83.22 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.493 HD13 ' HE3' ' A' ' 77' ' ' LYS . 96.7 mt -57.96 -53.2 48.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 123.106 0.563 . . . . 0.0 109.877 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -56.81 -47.35 80.46 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 65.5 mm-40 -58.24 -41.21 83.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.247 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -76.08 -37.81 57.77 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.754 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -72.69 -37.45 67.87 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.74 -42.98 97.77 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.347 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.04 -34.78 71.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.092 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.2 tt -55.3 -58.25 8.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.537 1.135 . . . . 0.0 109.154 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -47.97 -46.22 32.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 125.446 1.499 . . . . 0.0 111.407 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -70.85 -50.29 36.89 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.279 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.4 mt -69.42 -30.55 68.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' B' ' 61' ' ' ILE . 20.1 mm -66.46 -48.24 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.673 175.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -38.38 79.82 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.757 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 42.6 m-20 -77.7 -24.39 49.26 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -27.89 61.16 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 120.913 -1.117 . . . . 0.0 111.487 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 65' ' ' LEU . 3.3 mp -110.09 -30.11 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.07 -177.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.757 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 66.9 mmtt 64.11 69.57 0.53 Allowed 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 122.186 0.994 . . . . 0.0 110.718 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -84.89 -83.88 0.16 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.33 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.512 ' HB2' ' HG3' ' B' ' 71' ' ' ARG . 3.3 m-20 -157.66 143.0 17.03 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.074 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.5 p -86.73 -21.04 26.84 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.362 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -74.81 -45.0 46.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.867 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.512 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -84.76 -2.64 57.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.809 -178.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.515 ' HA ' HD12 ' B' ' 75' ' ' LEU . 3.2 t-160 -55.96 -42.64 76.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.4 p -91.99 9.02 34.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.458 0.647 . . . . 0.0 112.176 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -113.96 9.56 17.44 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 123.393 1.568 . . . . 0.0 108.31 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' B' ' 72' ' ' HIS . 3.2 mt -89.78 119.96 30.62 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.537 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -80.95 158.58 25.18 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.482 ' O ' HD13 ' B' ' 81' ' ' LEU . 19.5 ttmm -49.84 -52.6 31.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.204 0.602 . . . . 0.0 112.249 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.04 -30.19 64.03 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.227 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.06 -44.48 22.07 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.931 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.4 -50.51 80.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.227 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 85' ' ' VAL . 8.3 mp -52.86 -53.0 55.25 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.548 0.53 . . . . 0.0 110.719 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 12.7 tt0 -65.1 -34.49 78.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.31 -35.64 78.11 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.858 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 81' ' ' LEU . 43.9 t -66.79 -43.08 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 63.6 mttt -68.81 -31.82 71.08 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -71.32 -27.7 63.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.78 0.324 . . . . 0.0 110.132 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 3.7 tt -63.29 -42.41 99.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.434 HH11 HD22 ' B' ' 88' ' ' LEU . 18.2 mmm180 -65.22 -42.58 93.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.165 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.77 -49.17 77.47 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.762 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.14 -48.12 81.51 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.278 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.56 -16.41 47.67 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -107.46 0.07 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 111.227 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.78 10.03 38.71 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.435 -1.188 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.05 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 CA--C 1.496 -1.134 0 CA-C-O 120.637 0.256 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.38 -23.56 59.01 Favored 'General case' 0 C--O 1.197 -1.7 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.975 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -75.48 -41.28 55.89 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -63.31 -43.52 97.59 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.36 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.6 ttm180 -62.63 -48.39 79.6 Favored 'General case' 0 C--O 1.197 -1.699 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.143 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.1 ttm180 -57.58 -43.55 84.68 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.554 1.142 . . . . 0.0 111.505 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.42 -49.8 75.96 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -62.97 -36.22 82.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.684 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 46' ' ' ARG . 89.8 mt -57.37 -53.66 41.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 C-N-CA 123.158 0.583 . . . . 0.0 109.648 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -60.04 -48.36 82.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.723 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 10.5 mm-40 -60.43 -40.69 91.98 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 123.664 0.602 . . . . 0.0 112.143 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.0 t -77.05 -39.04 51.39 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 121.953 -0.467 . . . . 0.0 110.786 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.5 tt -65.4 -44.23 88.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -62.62 -44.57 95.95 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.53 -25.95 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.627 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.72 -56.31 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.969 0.507 . . . . 0.0 109.814 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.61 -37.17 72.83 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.206 0.316 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -60.68 -51.68 68.32 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.54 -40.37 73.47 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.64 -48.04 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.215 0.531 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 72' ' ' HIS . 3.9 mm? -71.08 -19.95 62.41 Favored 'General case' 0 C--O 1.192 -1.956 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.522 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 8.3 t70 -82.51 -29.94 30.14 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.74 0.781 . . . . 0.0 109.267 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.27 -35.55 58.86 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' ND1' ' A' ' 87' ' ' HIS . 5.1 mp -108.57 -34.93 6.59 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.199 -1.001 . . . . 0.0 112.831 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 34.8 mtmt 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.691 0.758 . . . . 0.0 112.19 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.28 -62.3 1.7 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.283 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 10.1 m-20 -151.5 139.13 19.67 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.433 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 p -79.41 -31.87 42.81 Favored 'General case' 0 C--N 1.283 -2.294 0 O-C-N 124.001 0.813 . . . . 0.0 109.595 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -66.18 -37.69 86.23 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.059 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 15.2 ptp180 -69.5 -42.6 74.53 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 24.1 t-80 -55.69 -40.66 72.65 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.724 1.21 . . . . 0.0 111.401 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -79.83 1.44 26.93 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 44.11 0.57 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 123.071 1.415 . . . . 0.0 108.617 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 12.4 mt -81.01 118.86 22.84 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.523 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.38 155.03 20.76 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 20.1 ttmm -44.36 -54.93 5.37 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -54.83 -33.61 61.87 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 124.35 1.06 . . . . 0.0 112.464 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.79 -34.82 39.35 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.994 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.552 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 62.7 mt -72.95 -50.61 31.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.238 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 47.7 mt -54.73 -48.85 72.05 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 123.989 0.806 . . . . 0.0 109.335 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 28.0 tt0 -57.38 -49.0 77.59 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.423 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 tpp -53.65 -40.26 65.72 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 124.81 1.244 . . . . 0.0 110.863 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -46.43 78.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 110.752 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.727 HG22 HD23 ' B' ' 57' ' ' LEU . 24.9 t -58.07 -44.11 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.625 1.203 . . . . 0.0 108.613 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 12.5 mmtp -65.92 -37.24 85.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.932 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.518 ' ND1' HD11 ' A' ' 65' ' ' LEU . 75.6 t60 -73.14 -27.9 61.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.156 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.9 tm? -57.94 -50.99 71.5 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 175.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.9 mpt_? -58.99 -45.27 91.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 123.318 0.386 . . . . 0.0 110.725 177.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.41 -52.12 64.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 123.698 0.624 . . . . 0.0 111.512 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.1 mt -71.63 -17.71 62.25 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -86.42 -21.67 26.99 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.174 0.511 . . . . 0.0 112.056 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.5 ppt_? -110.7 9.62 22.8 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.237 0.541 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.462 0.649 . . . . 0.0 110.012 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.444 -0.759 0 CA-C-O 120.418 0.151 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -69.7 -42.08 74.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.498 0.666 . . . . 0.0 109.482 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.705 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.53 ' O ' HG13 ' B' ' 50' ' ' ILE . 45.2 ttp180 -58.92 -53.9 53.24 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' B' ' 50' ' ' ILE . 61.7 ttp180 -49.18 -47.98 45.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.927 1.291 . . . . 0.0 111.518 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -61.07 -49.32 77.82 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' A' ' 82' ' ' GLU . 52.4 ttt180 -61.92 -30.86 71.18 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.568 0.543 . . . . 0.0 110.239 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.8 mt -61.87 -56.98 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -61.21 -45.29 95.2 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.977 0.418 . . . . 0.0 110.549 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 39.3 mt-10 -62.52 -42.0 99.22 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.146 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -76.78 -38.17 54.54 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.884 -0.726 . . . . 0.0 111.113 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -41.16 89.99 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 33.0 t -70.43 -42.67 71.25 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.68 -28.91 67.29 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.323 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.727 HD23 HG22 ' A' ' 85' ' ' VAL . 3.1 tm? -63.48 -59.43 4.67 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.175 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.19 44.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -66.83 -59.81 3.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.317 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -40.4 95.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.476 ' O ' HD13 ' B' ' 65' ' ' LEU . 48.8 mm -63.67 -50.49 77.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.068 0.461 . . . . 0.0 110.869 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.08 74.28 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.567 -175.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.645 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 11.7 m-20 -77.84 -27.97 50.02 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.42 -37.26 25.75 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.104 -1.039 . . . . 0.0 110.818 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.5 mp -88.71 -28.19 20.71 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.024 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.645 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 58.01 66.03 1.19 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.548 1.155 . . . . 0.0 110.512 178.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -76.36 -71.56 0.38 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.976 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -172.75 145.53 1.5 Allowed 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -76.05 -28.89 57.83 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 123.711 0.632 . . . . 0.0 110.939 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -72.78 -38.43 67.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.577 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -80.15 -16.55 54.65 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.833 -178.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -67.78 -42.41 81.71 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 173.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -83.97 7.8 17.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.432 0.634 . . . . 0.0 111.014 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.633 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -127.57 23.88 6.25 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.981 1.372 . . . . 0.0 107.49 178.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 34.7 mt -82.04 98.1 8.46 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.849 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.16 162.96 23.42 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.7 ttmt -52.11 -47.63 65.2 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -26.65 68.57 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.729 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -43.67 55.06 Favored 'General case' 0 CA--C 1.484 -1.568 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.608 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 57.2 mt -66.23 -51.52 58.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.445 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 72.1 mt -53.48 -50.81 64.57 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 123.89 0.744 . . . . 0.0 110.617 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 25.0 tt0 -60.18 -42.33 94.78 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.127 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.82 -34.71 76.43 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -173.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.605 ' CG2' HD21 ' B' ' 57' ' ' LEU . 0.2 OUTLIER -66.74 -47.15 73.14 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 81' ' ' LEU . 48.0 t -59.56 -42.44 88.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 121.987 0.899 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.7 mtmt -65.66 -34.56 78.5 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.545 177.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -34.54 78.53 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.1 -47.81 84.36 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -57.62 -47.68 81.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.434 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.68 -56.32 22.7 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.665 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 64.9 mt -64.78 -34.98 79.63 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.883 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -62.52 -33.76 75.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.816 0.341 . . . . 0.0 111.795 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.76 -6.25 43.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.05 62.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.376 0.607 . . . . 0.0 110.44 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.037 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.7 mmt . . . . . 0 CA--C 1.503 -0.856 0 CA-C-O 120.907 0.384 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -79.16 -16.75 56.16 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.883 -178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -37.4 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 172.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -67.17 -42.62 83.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.515 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 ttm180 -64.17 -40.45 96.15 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.799 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.5 ttp180 -55.71 -44.15 77.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.343 0.657 . . . . 0.0 110.122 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -56.61 -51.95 66.72 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.8 -39.3 77.23 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.516 0.51 . . . . 0.0 111.398 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.8 mt -58.73 -53.32 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 O-C-N 123.403 0.44 . . . . 0.0 110.013 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.55 -45.5 93.9 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 120.994 0.426 . . . . 0.0 110.586 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 40.8 mt-10 -60.94 -42.56 98.41 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.939 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -76.86 -35.0 57.79 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.498 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.73 -40.15 69.6 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -64.34 -49.47 71.54 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.407 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 10.5 pt20 -67.41 -30.56 70.35 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.55 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.89 -57.35 13.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -52.75 -44.47 66.48 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.648 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.9 m -65.4 -50.26 66.17 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.094 -174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 79.4 mt -73.05 -30.7 63.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -175.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 61' ' ' ILE . 25.7 mm -66.59 -46.51 85.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.065 0.459 . . . . 0.0 110.173 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -20.77 64.34 Favored 'General case' 0 C--O 1.197 -1.702 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.45 -31.26 29.55 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.665 0.786 . . . . 0.0 111.037 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.99 -36.78 24.77 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.475 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.8 mp -95.62 -37.06 11.0 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.236 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 55.06 67.02 1.08 Allowed 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 122.438 1.113 . . . . 0.0 111.982 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 66.9 mttm -78.57 -71.33 0.44 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.62 152.12 3.08 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -87.23 -20.17 27.31 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.566 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -71.39 -45.95 61.49 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -73.35 -17.94 61.24 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.661 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -72.87 -34.85 67.0 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 m -80.32 -8.81 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.551 0.691 . . . . 0.0 111.107 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -117.38 19.82 13.88 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 122.915 1.341 . . . . 0.0 108.026 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 17.0 mt -83.28 109.58 17.37 Favored 'General case' 0 N--CA 1.411 -2.383 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -80.09 156.86 26.86 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-N 114.229 -1.35 . . . . 0.0 108.097 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 28.5 ttpt -52.93 -42.14 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.429 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -59.61 -35.03 73.53 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.309 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.02 -43.56 24.05 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.735 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.3 mt -59.04 -51.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 83.5 mt -58.64 -50.49 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.5 tt0 -61.08 -37.36 82.43 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.826 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.628 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 47.6 tpp -64.79 -38.08 89.78 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.428 0.632 . . . . 0.0 109.511 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 m -66.96 -39.16 87.18 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.659 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.605 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 46.7 t -71.81 -42.66 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 110.158 178.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.7 mtmt -65.94 -36.78 84.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.963 0.411 . . . . 0.0 110.977 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 65' ' ' LEU . 80.8 t60 -70.93 -27.14 63.55 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.795 0.331 . . . . 0.0 110.152 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.8 tp -62.36 -40.09 95.28 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -65.02 -42.68 94.19 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.149 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 93' ' ' ARG . 62.7 m-20 -59.98 -46.14 90.41 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.529 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.45 -43.85 76.17 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.029 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -63.05 -17.32 62.12 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -104.5 -14.42 15.69 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 116.454 -2.098 . . . . 0.0 109.035 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.076 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.87 -178.044 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.444 -0.769 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -74.69 -45.0 47.31 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 43.5 mtp-105 -58.56 -43.31 89.31 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.313 0.578 . . . . 0.0 110.041 178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.504 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.7 ttm105 -62.41 -54.55 38.58 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.708 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' B' ' 50' ' ' ILE . 26.4 ttt85 -54.77 -47.19 74.23 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.072 0.949 . . . . 0.0 111.501 -177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.94 71.64 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 123.207 0.603 . . . . 0.0 109.956 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -66.08 -30.99 71.6 Favored 'General case' 0 C--O 1.205 -1.253 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.383 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -59.02 -56.96 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.948 0.404 . . . . 0.0 110.09 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -61.28 -43.01 99.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.465 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -66.84 -37.8 85.17 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 28.6 p -75.74 -41.6 52.85 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.761 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.48 -38.63 87.99 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.6 0.563 . . . . 0.0 109.65 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 14.3 t -66.41 -51.39 57.47 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.87 -30.34 69.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.606 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.28 -54.88 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.491 1.116 . . . . 0.0 108.739 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 55' ' ' SER . 5.0 ttpm? -48.17 -48.69 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.777 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 32.9 m -67.63 -55.2 14.25 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 114.563 -1.198 . . . . 0.0 111.479 -172.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.51 -35.97 81.57 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.59 ' O ' HD12 ' B' ' 65' ' ' LEU . 28.4 mm -66.81 -56.44 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 O-C-N 123.238 0.336 . . . . 0.0 110.492 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.14 -36.19 79.12 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.524 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.6 OUTLIER -73.71 -25.42 60.21 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.004 -177.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -29.47 45.15 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.754 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.59 HD12 ' O ' ' B' ' 61' ' ' ILE . 4.1 mp -91.57 -31.38 15.93 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 118.4 -1.32 . . . . 0.0 109.317 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.545 ' HA ' ' HE2' ' B' ' 66' ' ' LYS . 9.5 mmpt? 64.02 66.02 0.67 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 124.53 1.144 . . . . 0.0 109.418 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.741 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -79.68 -69.78 0.56 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.477 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -179.09 146.51 0.3 Allowed 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.6 m -75.4 -22.9 57.08 Favored 'General case' 0 N--CA 1.4 -2.937 0 O-C-N 123.905 0.753 . . . . 0.0 112.118 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -70.56 -46.22 63.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.61 -7.24 57.41 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.472 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -85.65 -27.57 25.31 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.4 m -92.63 -4.58 53.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.1 0.952 . . . . 0.0 109.902 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.3 24.97 11.2 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 25.1 mt -85.1 112.28 20.52 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.946 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -90.43 158.69 16.95 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.8 ttmt -51.63 -45.99 63.48 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.159 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.2 -43.97 27.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.492 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 70.4 mt -64.26 -50.59 75.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 85.3 mt -56.8 -51.6 68.3 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 121.068 0.461 . . . . 0.0 110.337 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.655 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.8 tt0 -64.73 -35.99 82.83 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.752 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.741 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 35.5 tpp -62.98 -41.0 99.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.516 0.674 . . . . 0.0 109.674 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -64.13 -41.2 97.3 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.145 -1.388 . . . . 0.0 110.463 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 40.2 t -71.43 -41.3 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.464 0.65 . . . . 0.0 110.115 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.9 mtmt -67.83 -40.48 83.76 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.732 -0.605 . . . . 0.0 110.591 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.424 ' HA ' ' ND2' ' B' ' 90' ' ' ASN . 86.4 t60 -67.54 -26.73 66.46 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.127 176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 19.4 tp -59.94 -47.65 84.93 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -37.18 86.3 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.669 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 73.5 m-20 -61.46 -47.04 87.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.595 0.559 . . . . 0.0 110.529 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.06 -30.88 67.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.095 0.474 . . . . 0.0 111.412 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -78.18 -15.04 59.2 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.1 OUTLIER -104.72 0.73 28.61 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 121.957 -0.464 . . . . 0.0 111.103 -176.271 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.18 53.79 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.741 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 CA--C 1.503 -0.852 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.18 -22.04 59.57 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.074 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.58 -42.1 74.94 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.69 -46.89 80.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 50' ' ' ILE . 33.7 ttm180 -56.79 -52.14 66.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.692 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 50' ' ' ILE . 10.5 ptm180 -58.53 -38.16 77.18 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.71 -49.67 76.84 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -63.27 -39.34 94.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HE3' ' B' ' 77' ' ' LYS . 96.7 mt -58.38 -57.24 11.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.261 0 C-N-CA 123.043 0.537 . . . . 0.0 110.432 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.92 -44.49 97.13 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 69.7 mm-40 -58.14 -38.7 77.05 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.105 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 m -76.75 -39.13 52.76 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.851 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.39 -38.86 91.24 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 t -60.05 -56.01 26.87 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.08 -29.53 69.87 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.84 -58.57 7.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.746 0.818 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -62.48 -30.12 71.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 m -69.48 -55.47 10.14 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.657 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.07 -29.86 69.75 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 84' ' ' THR . 23.9 mm -63.43 -50.65 77.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.17 0.509 . . . . 0.0 109.861 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -72.75 -24.0 60.9 Favored 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.346 -0.541 . . . . 0.0 109.673 -177.454 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -82.99 -34.35 26.38 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.18 -35.4 23.58 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.059 0.933 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.98 -29.03 13.52 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.509 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 33.9 mtmt 48.22 71.4 0.35 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.698 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 67.4 mttm -77.11 -80.43 0.1 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.595 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.479 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.0 t70 -161.57 151.09 16.47 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.2 t -83.97 -28.57 27.68 Favored 'General case' 0 C--N 1.269 -2.932 0 O-C-N 124.023 0.827 . . . . 0.0 109.481 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 m -66.74 -49.93 64.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.832 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -79.78 -13.16 59.63 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.744 -176.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.68 -38.85 75.86 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.708 0.766 . . . . 0.0 109.236 175.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -84.47 15.12 3.89 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.636 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -132.09 14.23 4.71 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.434 1.112 . . . . 0.0 109.469 176.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -85.31 126.68 33.92 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 80' ' ' ILE . 32.1 mt-10 -79.84 156.47 27.36 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 29.0 ttpt -50.28 -39.45 45.33 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.04 0.837 . . . . 0.0 112.607 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.73 76.31 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.933 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.8 -32.89 40.79 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.49 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 76' ' ' GLU . 2.3 mp -61.69 -51.21 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.4 mt -60.32 -49.67 76.69 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.005 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.672 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 25.3 tt0 -58.79 -38.98 79.75 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.278 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.698 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 50.6 tpp -64.41 -42.08 96.28 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.421 HG23 HD11 ' A' ' 61' ' ' ILE . 10.6 m -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.805 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.66 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 63.3 t -65.88 -54.39 27.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.905 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -56.24 -40.37 74.02 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.65 0.738 . . . . 0.0 110.997 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . 0.258 43.3 m-70 -75.09 -26.28 59.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.3 pp -72.29 -28.56 63.18 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 15.8 mmm-85 -66.11 -44.65 83.68 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.09 -55.27 35.04 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.339 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.05 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -39.73 95.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.946 0.403 . . . . 0.0 111.248 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.86 20.6 16.29 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.258 0 CA-C-O 121.352 0.596 . . . . 0.0 110.156 179.289 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -72.72 -43.49 62.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -63.45 -37.43 87.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.772 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.586 ' O ' HG13 ' B' ' 50' ' ' ILE . 41.4 ttt180 -59.88 -53.16 61.15 Favored 'General case' 0 C--O 1.202 -1.419 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.446 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' B' ' 50' ' ' ILE . 94.7 mtt180 -58.48 -42.63 87.98 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 123.372 0.42 . . . . 0.0 111.521 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.59 -49.16 75.73 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 123.624 0.578 . . . . 0.0 109.548 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.22 -27.54 64.55 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.417 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 46' ' ' ARG . 98.6 mt -59.7 -52.87 55.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 174.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.36 -43.03 92.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.63 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.6 mm-40 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -75.1 -41.43 58.66 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.53 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.14 -36.56 84.01 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -59.67 -57.95 10.7 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.754 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.9 -29.88 69.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.94 -58.9 6.37 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.012 0.925 . . . . 0.0 110.358 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -62.34 -33.06 73.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.891 0.376 . . . . 0.0 110.954 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 m -63.71 -56.32 16.59 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.982 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -27.47 60.71 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 10.4 mm -60.78 -55.5 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -75.22 -21.03 58.93 Favored 'General case' 0 C--O 1.191 -1.989 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.369 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.89 -30.84 67.32 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.587 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.22 25.38 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.357 0.599 . . . . 0.0 109.881 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 16.8 mt -93.27 -38.13 11.68 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.515 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 51.93 65.68 1.42 Allowed 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 124.587 1.155 . . . . 0.0 111.393 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 66.1 mttm -79.33 -70.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.595 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.571 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.8 t70 -162.05 134.2 5.64 Favored 'General case' 0 CA--C 1.476 -1.872 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -87.35 -15.64 37.32 Favored 'General case' 0 N--CA 1.406 -2.649 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . 0.571 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 47.2 t -69.41 -51.27 38.1 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.497 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -73.46 -9.82 59.08 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.587 ' HA ' HD23 ' B' ' 75' ' ' LEU . 3.6 t-80 -63.02 -22.3 66.76 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -92.44 3.17 56.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.28 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 36.99 3.24 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 122.841 1.305 . . . . 0.0 108.469 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.7 OUTLIER -83.11 124.05 30.1 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.245 175.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -86.45 144.49 27.26 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 25.8 ttpt -55.36 -38.37 68.73 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.389 0.614 . . . . 0.0 111.551 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.76 76.21 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.132 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -78.95 -39.34 34.78 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.679 -175.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' B' ' 75' ' ' LEU . 76.5 mt -61.75 -54.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.931 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 82.9 mt -58.3 -47.43 83.72 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 109.664 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.2 tt0 -62.19 -38.05 87.65 Favored 'General case' 0 C--O 1.203 -1.373 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.111 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.518 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 36.3 tpp -68.54 -32.02 71.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.613 0.72 . . . . 0.0 109.685 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.417 HG23 HD11 ' B' ' 61' ' ' ILE . 13.6 m -70.46 -42.11 71.89 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.801 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 59.7 t -69.75 -40.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 75.4 mttt -65.57 -33.05 75.0 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.229 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.496 ' CD2' HD21 ' B' ' 65' ' ' LEU . 14.3 t-80 -69.74 -30.25 67.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.807 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -64.98 -42.38 94.58 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.6 mmm180 -61.56 -48.83 79.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.51 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -55.29 -50.72 68.82 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 87' ' ' HIS . 87.0 mt -63.12 -44.6 95.18 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.11 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.32 -21.35 66.21 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 6.5 ppt_? -111.66 5.62 19.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 122.02 0.914 . . . . 0.0 111.227 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.77 16.43 17.52 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.998 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.426 -1.675 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -177.769 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 CA--C 1.506 -0.743 0 CA-C-O 121.156 0.503 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.24 -15.03 56.79 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.521 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.45 -41.88 75.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.19 -45.55 87.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.446 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 ttp180 -58.53 -49.16 78.42 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.401 175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.686 ' HA ' HD12 ' A' ' 50' ' ' ILE . 77.8 ttt180 -56.79 -37.49 71.21 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.154 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.65 -43.63 98.49 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.3 -31.42 72.57 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.779 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 47' ' ' ARG . 81.5 mt -61.47 -53.12 52.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -61.35 -43.45 98.85 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 63.2 mt-10 -55.56 -49.02 73.82 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.076 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -73.85 -44.22 56.2 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.522 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.14 -41.51 97.16 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -62.25 -49.86 74.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.197 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -73.6 -25.05 60.15 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.814 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.84 -59.22 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 123.657 0.783 . . . . 0.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -62.0 -36.67 82.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -54.73 36.46 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.181 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.63 -31.65 68.67 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG23 ' CD2' ' A' ' 87' ' ' HIS . 12.4 mm -62.88 -43.07 98.67 Favored 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-O 122.386 1.088 . . . . 0.0 110.309 174.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -71.53 -38.17 71.09 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.257 -179.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.532 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 5.2 t70 -78.3 -25.28 46.53 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.036 0.446 . . . . 0.0 112.182 -176.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.58 67.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 7.3 mp -102.32 -28.73 12.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 117.854 -1.538 . . . . 0.0 113.245 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 25.0 mtmt 54.97 65.8 1.4 Allowed 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 122.759 1.266 . . . . 0.0 110.57 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' A' ' 65' ' ' LEU . 2.9 mppt? -79.97 -72.62 0.39 Allowed 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 112.794 -2.003 . . . . 0.0 109.915 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 7.6 m-20 -153.74 150.92 29.02 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.418 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -86.9 -29.45 22.13 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 t -61.64 -53.03 61.64 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.089 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -67.76 -32.44 73.03 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.347 177.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 11.8 t-160 -58.36 -46.5 86.17 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.551 0.532 . . . . 0.0 111.076 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 p -85.6 4.21 37.23 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.445 0.64 . . . . 0.0 112.35 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -126.72 18.03 7.39 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.476 1.131 . . . . 0.0 108.192 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 15.9 mt -71.51 115.04 10.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.421 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -77.94 149.68 34.14 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.9 ttmt -49.98 -47.5 52.77 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.73 -31.43 72.42 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.286 0.565 . . . . 0.0 111.251 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.02 -35.36 66.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.068 0.937 . . . . 0.0 108.879 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.7 mt -66.96 -49.55 72.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.525 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' VAL . 52.9 mt -59.96 -50.71 72.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.91 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.5 tt0 -59.75 -36.86 77.49 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.314 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.24 -39.69 93.04 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 m -66.95 -41.43 86.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.686 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.4 t -67.66 -49.65 68.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 109.93 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.5 mttm -61.7 -38.67 88.73 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.171 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 m-70 -66.21 -32.8 74.46 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.8 pp -66.97 -40.09 87.37 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.494 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -66.76 -34.39 77.73 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.67 178.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.466 ' ND2' ' HA ' ' A' ' 87' ' ' HIS . 78.3 m-20 -55.33 -50.85 68.56 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' HB2' HD13 ' B' ' 91' ' ' LEU . 76.2 mt -62.75 -45.21 93.76 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.3 -21.16 63.7 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -115.22 -8.25 12.36 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.829 -0.748 . . . . 0.0 112.15 -176.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.31 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 14.2 pt-20 . . . . . 0 C--O 1.2 -1.539 0 CA-C-O 119.57 -0.252 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -65.48 -46.96 77.73 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -58.99 -48.57 81.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.321 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.494 ' O ' HG13 ' B' ' 50' ' ' ILE . 34.6 ttm180 -62.72 -49.54 74.65 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.02 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 91.9 mtt180 -54.56 -48.01 72.57 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.714 0.406 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.25 82.42 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 123.483 0.489 . . . . 0.0 109.996 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -56.96 -42.35 80.0 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.494 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.4 mt -60.38 -58.72 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.085 0.554 . . . . 0.0 111.072 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -60.43 -42.87 96.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.127 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -71.7 -28.14 63.5 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -77.0 -31.9 56.79 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.483 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 5.0 tt -74.33 -37.25 63.61 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 123.417 0.687 . . . . 0.0 109.424 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -69.8 -44.39 70.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.71 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -66.53 -31.48 72.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.432 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.8 tt -59.48 -58.6 7.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.75 1.22 . . . . 0.0 110.734 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.655 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -61.57 -30.63 70.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.579 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 92.8 m -66.14 -52.03 52.34 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.648 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.67 -33.71 71.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.371 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.676 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.8 mm -63.44 -53.33 46.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 O-C-N 123.474 0.484 . . . . 0.0 110.793 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' B' ' 72' ' ' HIS . 2.1 tm? -62.08 -38.06 87.39 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.82 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.622 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 58.2 m-20 -73.6 -25.76 60.49 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.74 -22.65 31.88 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.636 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 17.0 mt -95.27 -38.08 10.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.326 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.622 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 11.1 mmpt? 61.2 61.98 1.47 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.855 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.532 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -86.07 -79.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.126 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.448 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 24.8 m-20 -157.85 149.64 21.87 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' B' ' 72' ' ' HIS . 16.5 p -87.15 -23.48 24.82 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.283 0.563 . . . . 0.0 111.272 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 54.7 m -69.11 -43.79 73.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 12.8 ptp180 -63.32 -38.07 89.72 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' B' ' 69' ' ' SER . 28.4 t-80 -52.32 -38.63 59.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.096 0.959 . . . . 0.0 111.11 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.5 t -85.45 1.41 48.89 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.727 0.775 . . . . 0.0 110.877 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -34.95 7.04 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 47.3 mt -33.27 109.04 0.06 Allowed 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 126.061 2.1 . . . . 0.0 114.22 -173.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 41.1 mt-10 -92.47 170.57 9.66 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.888 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.451 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.1 ttmt -56.78 -45.95 81.81 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.06 72.43 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.384 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.571 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 3.0 m-20 -74.48 -52.16 12.76 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 122.078 0.942 . . . . 0.0 108.652 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' B' ' 58' ' ' LYS . 83.2 mt -55.72 -52.13 51.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 113.34 -1.754 . . . . 0.0 111.671 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.0 mp -54.21 -52.73 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 123.497 0.498 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 24.1 tt0 -64.35 -36.92 85.71 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.544 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.532 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 23.9 tpp -63.87 -35.63 81.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.149 0.976 . . . . 0.0 109.321 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -74.03 -42.82 59.73 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.583 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 81' ' ' LEU . 76.3 t -64.24 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.264 0.554 . . . . 0.0 109.6 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 72.4 mttt -63.25 -37.47 87.36 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -70.61 -26.92 63.72 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.478 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.79 -38.0 79.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.9 mmt180 -61.01 -48.96 79.39 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.671 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.03 -55.4 31.38 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.473 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 91' ' ' LEU . 82.8 mt -64.66 -33.87 76.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.875 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -113.37 -1.05 14.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.3 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.47 28.0 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.454 0.702 . . . . 0.0 110.682 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 93' ' ' ARG . 23.4 mm-40 . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 CA--C 1.499 -1.001 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.16 -21.43 50.23 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.241 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -74.12 -38.85 63.68 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.449 -0.501 . . . . 0.0 109.88 176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -64.86 -44.76 88.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.789 176.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.52 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.4 ttm180 -59.51 -55.52 33.51 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.275 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HA ' HD12 ' A' ' 50' ' ' ILE . 29.9 mtm180 -54.42 -43.33 71.44 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.607 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.69 -54.68 43.38 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.496 0.497 . . . . 0.0 109.975 176.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.45 ' CB ' ' HB1' ' B' ' 78' ' ' ALA . 60.0 mtp180 -61.22 -34.16 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.664 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.4 mt -59.09 -55.51 23.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -61.17 -46.4 90.64 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.713 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 17.8 mm-40 -58.53 -48.0 82.3 Favored 'General case' 0 C--O 1.249 1.067 0 O-C-N 123.565 0.541 . . . . 0.0 111.948 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 m -76.89 -36.94 56.36 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.9 tt -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.57 0.7 . . . . 0.0 109.445 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.8 m -66.51 -45.74 78.55 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.451 -178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.37 -30.44 68.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.7 -56.94 15.04 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.22 1.008 . . . . 0.0 110.522 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.06 -36.02 80.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.187 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.7 m -66.94 -47.85 70.4 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.447 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -69.49 -34.99 75.14 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.436 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mm -63.49 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--O 1.29 3.212 0 CA-C-O 122.089 0.947 . . . . 0.0 110.795 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD22 ' HD2' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -60.94 -51.29 69.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.269 -179.141 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.702 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 20.6 t70 -69.83 -42.82 73.11 Favored 'General case' 0 C--O 1.169 -3.137 0 O-C-N 124.183 0.927 . . . . 0.0 111.4 -177.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -54.16 -31.54 52.87 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 120.817 0.342 . . . . 0.0 111.746 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 64' ' ' ALA . 6.6 mp -115.58 -8.53 12.11 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.12 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.702 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 36.7 mmtt 58.69 56.49 4.17 Favored 'General case' 0 CA--C 1.491 -1.324 0 C-N-CA 124.416 1.086 . . . . 0.0 110.309 175.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HD2' HD22 ' A' ' 62' ' ' LEU . 47.6 mttp -62.93 -82.88 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 113.486 -1.688 . . . . 0.0 112.029 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -179.08 142.97 0.2 Allowed 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 p -78.7 -18.39 54.4 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.354 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -43.21 66.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.603 ' NH1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -80.63 -3.21 49.64 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -84.66 -22.27 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 170.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.2 t -90.74 -25.99 19.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.356 1.074 . . . . 0.0 109.423 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 35.4 2.76 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.634 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.744 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 7.0 tp -101.41 102.66 13.5 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.953 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -79.27 153.09 30.17 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.85 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.7 ttmp? -51.78 -47.81 64.02 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.44 71.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 83' ' ' MET . 16.3 t70 -76.05 -35.79 59.3 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.744 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.1 mt -67.25 -52.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.923 -1.489 . . . . 0.0 110.979 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 85' ' ' VAL . 72.8 mt -60.03 -52.63 64.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 9.0 tt0 -55.98 -39.9 72.51 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.711 0.632 . . . . 0.0 112.012 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 36.4 tpp -62.25 -52.59 63.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -173.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -61.06 -46.49 90.44 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.7 t -63.81 -45.51 96.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-O 121.909 0.861 . . . . 0.0 110.595 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.608 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 79.7 mttt -72.29 -23.96 61.27 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-O 121.711 0.767 . . . . 0.0 111.426 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.16 -26.04 55.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.024 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.1 tt -61.78 -43.54 98.65 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 4.6 mmt180 -60.37 -45.7 92.58 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.837 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 85.7 m-20 -59.67 -41.73 91.32 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.562 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -38.41 61.31 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.208 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.24 -19.67 64.75 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.58 -11.98 44.0 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.251 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.184 -176.356 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.19 -2.055 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -67.67 -42.01 82.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 123.781 0.675 . . . . 0.0 112.099 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -59.18 -49.28 78.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.696 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.54 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.4 ttm180 -68.39 -45.68 72.04 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.342 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.5 ttt180 -56.57 -44.71 81.26 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.106 1.363 . . . . 0.0 110.617 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -55.8 -52.93 62.27 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.758 0.661 . . . . 0.0 109.314 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -63.15 -32.97 74.48 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.889 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.8 mt -59.9 -55.78 21.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -60.8 -45.17 95.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.744 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 17.6 mm-40 -59.27 -43.08 92.51 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.946 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 29.7 m -77.33 -33.51 55.47 Favored 'General case' 0 N--CA 1.418 -2.053 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.468 -178.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.0 tt -72.48 -35.4 68.18 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -176.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.3 p -69.64 -46.45 66.14 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.039 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.9 pt20 -68.94 -31.15 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.116 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -53.06 -59.45 4.52 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.283 1.433 . . . . 0.0 107.607 175.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' B' ' 58' ' ' LYS . 4.1 tmmm? -59.17 -45.72 90.27 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.132 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 51.5 m -59.31 -51.4 70.12 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 123.447 0.467 . . . . 0.0 112.032 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.59 -38.29 83.81 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.273 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.513 HD11 HG23 ' B' ' 84' ' ' THR . 29.5 mm -65.44 -36.4 77.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 122.052 0.93 . . . . 0.0 111.236 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -42.71 72.59 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.303 -0.873 . . . . 0.0 109.234 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.601 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 8.6 t70 -77.6 -30.5 52.46 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.43 -30.69 53.55 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.668 -0.645 . . . . 0.0 111.312 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.408 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.0 mp -100.02 -32.31 11.01 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.927 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.601 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.0 mtmt 50.1 69.72 0.58 Allowed 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 123.083 1.421 . . . . 0.0 111.992 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -81.63 -75.41 0.29 Allowed 'General case' 0 N--CA 1.414 -2.233 0 CA-C-N 112.049 -2.341 . . . . 0.0 111.86 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 179.84 155.16 0.57 Allowed 'General case' 0 CA--C 1.473 -1.994 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' B' ' 72' ' ' HIS . 50.5 m -84.42 -20.3 32.04 Favored 'General case' 0 N--CA 1.408 -2.56 0 O-C-N 123.859 0.724 . . . . 0.0 111.721 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 16.4 m -67.75 -49.78 60.7 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -3.79 43.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' B' ' 69' ' ' SER . 10.3 t-160 -84.13 -31.43 25.22 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -86.8 -4.7 59.21 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 122.472 1.129 . . . . 0.0 109.886 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.06 21.72 11.72 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 123.258 1.504 . . . . 0.0 107.143 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.588 ' HG ' ' CG1' ' B' ' 80' ' ' ILE . 10.9 tp -99.41 98.22 9.17 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.147 -1.388 . . . . 0.0 107.474 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -86.56 163.66 17.34 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.746 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 50' ' ' ILE . 27.2 ttpt -51.13 -42.17 60.55 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 111.62 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 49' ' ' ARG . . . -58.92 -37.8 77.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.485 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.06 -50.87 13.55 Favored 'General case' 0 CA--C 1.487 -1.445 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.869 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.588 ' CG1' ' HG ' ' B' ' 75' ' ' LEU . 70.8 mt -51.72 -48.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.721 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.482 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.1 mp -55.65 -53.44 56.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.719 0.408 . . . . 0.0 111.423 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 8.4 tt0 -60.54 -39.07 86.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.419 0.628 . . . . 0.0 110.155 -173.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 14.5 m -77.52 -40.07 44.0 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.159 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 56.3 t -67.57 -38.03 79.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.84 0.829 . . . . 0.0 109.018 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.8 mttt -68.27 -35.7 78.28 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.077 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' B' ' 91' ' ' LEU . 77.3 t60 -67.91 -26.72 66.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 29.1 tp -66.13 -42.45 89.09 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 6.7 mmt180 -59.8 -46.55 88.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.29 -50.98 71.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.374 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.423 HD11 ' NE2' ' B' ' 87' ' ' HIS . 85.8 mt -72.21 -27.4 62.52 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -70.24 -29.17 65.91 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 4.2 ppt_? -117.96 13.37 13.95 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.73 -40.2 79.05 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.303 1.049 . . . . 0.0 110.142 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . 0.594 ' NE2' ' H ' ' B' ' 95' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.28 -2.451 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.33 175.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 CA--C 1.497 -1.07 0 CA-C-O 120.563 0.221 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.72 -25.99 60.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.436 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -73.55 -40.9 63.61 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -60.21 -42.12 94.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.286 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.93 -46.26 68.71 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.38 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.4 ttm180 -62.58 -39.74 94.68 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 123.807 0.843 . . . . 0.0 112.124 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.63 -48.73 80.51 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -61.36 -39.31 90.16 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 124.069 0.855 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.2 mt -59.12 -53.93 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 122.742 0.417 . . . . 0.0 111.157 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -65.77 -45.81 81.11 Favored 'General case' 0 CA--C 1.477 -1.837 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 9.2 pt-20 -66.52 -37.8 85.8 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 123.75 0.657 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -70.17 -48.67 56.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -60.26 -37.67 81.15 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 109.722 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.3 m -69.3 -42.39 75.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.214 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.43 -29.48 61.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.714 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.9 tm? -52.5 -59.08 4.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.617 1.967 . . . . 0.0 109.183 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -64.4 -36.4 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.967 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.0 m -61.16 -53.03 62.06 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.037 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -34.47 78.39 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 84' ' ' THR . 37.8 mm -64.83 -51.49 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.993 0.425 . . . . 0.0 110.631 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -23.55 62.35 Favored 'General case' 0 C--O 1.199 -1.57 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.22 -29.93 31.09 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.88 0.371 . . . . 0.0 111.595 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.14 27.96 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 87' ' ' HIS . 20.2 mt -99.68 -34.39 10.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.069 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt 53.41 45.16 28.92 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.962 0.905 . . . . 0.0 111.927 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.58 -70.19 0.24 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.543 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 35.2 t70 -167.49 137.19 2.77 Favored 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.6 p -86.91 -19.76 28.37 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-O 121.34 0.59 . . . . 0.0 111.741 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.543 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 49.6 m -69.94 -44.57 69.29 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.454 HH11 ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -75.87 -12.98 60.26 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.891 -0.506 . . . . 0.0 110.512 176.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.779 ' HA ' HD12 ' A' ' 75' ' ' LEU . 11.2 t-160 -77.3 -18.14 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.817 0.818 . . . . 0.0 108.829 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -92.54 2.3 56.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.636 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -135.03 21.61 3.49 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.919 1.343 . . . . 0.0 107.796 177.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -90.21 106.05 18.23 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.443 177.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.31 160.16 28.02 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.633 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.6 ttmp? -48.82 -46.88 42.56 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.557 0.743 . . . . 0.0 111.965 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -60.47 -35.83 76.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.559 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -79.68 -36.63 37.37 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.891 -171.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.97 -47.07 89.61 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.802 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 69.6 mt -57.94 -48.85 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 30.7 tt0 -59.83 -41.07 90.52 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.781 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 tpp -63.79 -35.08 79.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.728 0.775 . . . . 0.0 109.02 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 61' ' ' ILE . 8.4 m -72.45 -43.81 63.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.325 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 81' ' ' LEU . 50.6 t -62.24 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.474 0.654 . . . . 0.0 109.844 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.2 mtmt -63.21 -44.06 96.37 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.664 ' CD2' HD21 ' A' ' 65' ' ' LEU . 11.8 t-160 -66.47 -28.91 68.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.06 178.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.32 -45.69 92.09 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -69.51 -29.8 67.5 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.745 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 93.5 m-20 -62.57 -44.09 97.2 Favored 'General case' 0 CA--C 1.49 -1.344 0 CA-C-O 121.054 0.454 . . . . 0.0 110.29 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 92.6 mt -68.41 -43.89 76.21 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.412 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.67 -24.78 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 5.4 ppt_? -89.04 -8.53 53.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.986 0.422 . . . . 0.0 111.501 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.978 0 CA-C-O 121.822 0.82 . . . . 0.0 110.851 -177.288 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.233 0.231 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -75.98 -37.16 58.84 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -64.73 -42.24 95.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.314 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.591 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.7 ttm180 -60.59 -53.01 62.68 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' B' ' 50' ' ' ILE . 39.3 ttm180 -52.69 -47.71 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.804 1.242 . . . . 0.0 111.562 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.29 -50.62 72.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.016 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -61.98 -31.83 72.23 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.32 0.387 . . . . 0.0 111.781 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.591 HG13 ' O ' ' B' ' 46' ' ' ARG . 88.5 mt -60.46 -52.63 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -61.17 -48.14 82.95 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 25.7 mm-40 -60.52 -41.23 93.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.2 m -77.32 -35.97 54.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.973 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ILE . 1.0 OUTLIER -72.05 -35.46 69.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.488 0.661 . . . . 0.0 109.381 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.0 p -69.87 -49.68 49.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.299 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.82 -32.98 74.92 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.731 0.301 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.491 HD21 ' OG1' ' B' ' 84' ' ' THR . 7.8 tt -58.08 -58.5 8.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.73 -43.8 65.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.639 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.2 m -59.31 -55.41 35.17 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.585 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.03 -32.44 67.13 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' B' ' 83' ' ' MET . 23.7 mm -68.62 -50.41 56.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.39 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.93 -25.11 66.99 Favored 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.87 -32.45 61.89 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 -38.55 21.0 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 121.075 0.464 . . . . 0.0 109.978 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 13.9 mt -88.2 -38.25 15.44 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 120.211 -0.595 . . . . 0.0 109.923 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 49.78 68.31 0.76 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.713 1.258 . . . . 0.0 111.178 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.581 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 93.2 mttt -66.32 -57.11 8.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.777 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.409 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.8 t70 177.44 151.91 0.22 Allowed 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -82.74 -28.17 30.62 Favored 'General case' 0 N--CA 1.399 -2.994 0 O-C-N 123.617 0.573 . . . . 0.0 110.248 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.2 m -70.96 -36.06 72.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.382 0.61 . . . . 0.0 110.222 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -87.16 -6.56 58.58 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 -178.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -70.47 -22.71 62.64 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 21.5 m -88.29 14.98 8.31 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.489 0.661 . . . . 0.0 110.879 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.602 ' HE2' ' O ' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -143.64 84.47 1.8 Allowed 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.4 mm? -122.82 121.98 37.55 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 121.608 0.718 . . . . 0.0 110.684 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.449 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 33.8 mt-10 -90.81 149.44 21.98 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 ttmt -52.62 -45.0 66.41 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.172 0.51 . . . . 0.0 110.671 177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -30.28 69.99 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.303 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' B' ' 83' ' ' MET . 11.2 t70 -76.97 -41.28 43.66 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.446 HG22 HD22 ' B' ' 57' ' ' LEU . 53.6 mt -64.94 -51.86 61.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.046 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 86.6 mt -56.0 -49.28 74.08 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 124.043 0.839 . . . . 0.0 109.571 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.5 tt0 -61.67 -39.26 90.76 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.377 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.581 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 72.8 mtm -56.89 -45.96 82.23 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.491 ' OG1' HD21 ' B' ' 57' ' ' LEU . 0.1 OUTLIER -59.11 -48.72 80.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.406 178.401 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.2 t -64.41 -44.51 97.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.894 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -67.28 -39.38 86.04 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 122.057 -0.402 . . . . 0.0 111.273 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 6.0 tt -60.96 -46.41 90.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -58.05 -46.49 85.28 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -55.68 -51.68 66.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.198 0.936 . . . . 0.0 111.075 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 94.8 mt -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.553 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -72.86 -14.45 61.5 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.788 0.328 . . . . 0.0 111.716 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 11.17 14.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 0.0 109.994 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.28 27.95 3.07 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.259 1.597 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -176.104 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 CA--C 1.511 -0.546 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 12.0 pt-20 -75.61 -18.94 59.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.261 -178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -70.69 -43.25 69.44 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -62.96 -41.16 99.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.366 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.5 ttp180 -60.77 -54.2 48.04 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.224 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.8 ttp180 -58.8 -39.03 79.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.792 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -60.81 -46.75 89.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -60.36 -37.12 79.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.779 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 47' ' ' ARG . 79.3 mt -55.26 -56.87 9.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -59.18 -45.91 89.8 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.633 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 23.7 mm-40 -59.0 -37.99 78.15 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.8 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m -76.45 -44.13 36.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.459 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.41 -36.95 85.5 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.209 0.528 . . . . 0.0 109.738 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -61.22 -50.96 70.96 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.378 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -72.97 -29.17 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.54 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -58.49 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.117 0.967 . . . . 0.0 110.145 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -60.82 -35.5 76.66 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.156 0.285 . . . . 0.0 111.168 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.47 -52.97 59.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.404 0.44 . . . . 0.0 111.07 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.55 -32.19 69.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.52 -52.05 45.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.276 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HG ' ' ND1' ' A' ' 72' ' ' HIS . 0.6 OUTLIER -60.91 -33.19 72.76 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.642 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 1.3 t70 -80.78 -28.34 36.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.343 -176.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.18 -34.33 37.6 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 118.857 -1.137 . . . . 0.0 111.174 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 65' ' ' LEU . 4.7 mp -92.57 -24.27 18.78 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.425 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.642 ' HE3' ' HA ' ' A' ' 63' ' ' ASP . 9.7 mmpt? 59.18 64.06 1.46 Allowed 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 109.803 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 70.0 mmtt -71.47 -78.99 0.07 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 112.825 -1.988 . . . . 0.0 111.273 -177.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.95 153.23 0.62 Allowed 'General case' 0 CA--C 1.466 -2.286 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -77.01 -28.83 55.15 Favored 'General case' 0 N--CA 1.403 -2.822 0 O-C-N 123.771 0.669 . . . . 0.0 111.236 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 t -70.12 -40.75 74.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -82.05 -3.16 53.99 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -178.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.403 ' ND1' ' HG ' ' A' ' 62' ' ' LEU . 3.4 t-160 -78.4 -40.76 35.09 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 170.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -83.31 -1.14 52.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.86 1.314 . . . . 0.0 110.46 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -122.64 58.95 1.06 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 122.86 1.314 . . . . 0.0 107.587 175.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 13.8 mt -121.66 108.03 13.06 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 112.718 -2.037 . . . . 0.0 110.182 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.2 mm-40 -78.8 152.19 31.51 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.0 ttmt -49.0 -44.5 41.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.36 0.6 . . . . 0.0 112.222 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -64.8 -28.87 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.198 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 -34.8 42.14 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 121.91 0.862 . . . . 0.0 108.699 -174.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 53.3 mt -72.68 -50.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.251 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 75.1 mt -57.55 -52.93 63.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.052 0.453 . . . . 0.0 110.049 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 22.4 tt0 -60.5 -35.49 76.06 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.289 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.494 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 2.1 tpt -69.18 -33.6 73.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.672 0.748 . . . . 0.0 109.818 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.1 m -72.22 -42.3 65.91 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.728 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.2 t -68.65 -43.58 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.729 0.776 . . . . 0.0 109.923 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.2 mttt -67.13 -30.33 70.3 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 121.972 -0.455 . . . . 0.0 111.348 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -72.14 -29.52 64.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.264 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.6 pp -66.84 -35.42 80.01 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.306 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -58.75 -47.59 84.14 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.12 -52.17 65.31 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 123.981 0.8 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.5 mt -70.92 -21.32 62.38 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -75.53 -40.34 57.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 118.013 0.37 . . . . 0.0 110.777 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.91 6.73 40.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.061 0.458 . . . . 0.0 112.009 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 111.149 -177.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.557 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 4.8 pt-20 . . . . . 0 N--CA 1.439 -0.988 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.57 -38.77 87.79 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -66.03 -40.93 91.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.345 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.598 ' O ' HG13 ' B' ' 50' ' ' ILE . 28.7 ttm180 -57.71 -52.87 63.69 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 58.8 mtt180 -53.85 -46.05 71.13 Favored 'General case' 0 CA--C 1.502 -0.87 0 C-N-CA 123.065 0.546 . . . . 0.0 111.68 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.611 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.14 -51.43 68.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -62.99 -35.32 79.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.664 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.598 HG13 ' O ' ' B' ' 46' ' ' ARG . 85.2 mt -61.3 -53.42 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.159 0.584 . . . . 0.0 109.869 176.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -61.09 -45.68 93.7 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.171 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 45.7 mt-10 -60.3 -42.96 96.62 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.152 0.907 . . . . 0.0 112.178 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.8 p -75.08 -43.03 55.47 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.303 -175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.59 -38.71 91.2 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -59.76 -57.03 14.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.467 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.73 -25.69 63.05 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.326 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 123.53 0.732 . . . . 0.0 109.914 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.75 -34.69 78.45 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.07 0.462 . . . . 0.0 110.672 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.5 m -67.22 -45.75 75.89 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.372 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.48 -36.4 68.42 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.166 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.04 -49.2 84.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 120.833 0.349 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.89 -26.34 66.83 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.423 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.9 t70 -80.92 -28.45 35.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.418 0.627 . . . . 0.0 110.976 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -38.39 23.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 122.026 -0.421 . . . . 0.0 110.423 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.7 mp -90.89 -37.8 13.32 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.011 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.6 mtmt 53.55 67.37 1.01 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 122.539 1.161 . . . . 0.0 112.048 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.0 -70.84 0.53 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.782 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -171.31 143.86 1.92 Allowed 'General case' 0 CA--C 1.476 -1.88 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.7 m -83.37 -19.64 35.71 Favored 'General case' 0 N--CA 1.408 -2.561 0 O-C-N 123.458 0.473 . . . . 0.0 109.939 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -66.73 -33.61 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.781 0.801 . . . . 0.0 109.432 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -92.12 -6.35 50.99 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.04 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.439 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.6 t-160 -82.85 -42.88 17.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.032 0.933 . . . . 0.0 108.53 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -74.21 3.91 6.47 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.615 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -129.62 16.46 5.9 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 122.369 1.08 . . . . 0.0 108.868 179.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 30.9 mt -73.83 121.5 20.98 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.083 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.505 ' HB2' ' OD2' ' B' ' 79' ' ' ASP . 76.9 mm-40 -93.0 160.13 15.01 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.158 175.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.3 ttmt -51.22 -47.2 62.39 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 123.767 0.827 . . . . 0.0 112.015 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.7 68.83 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.072 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' B' ' 76' ' ' GLU . 22.9 m-20 -78.76 -44.49 23.21 Favored 'General case' 0 CA--C 1.485 -1.556 0 CA-C-O 121.639 0.733 . . . . 0.0 109.479 -174.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.442 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.2 mt -62.88 -51.46 71.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.363 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.81 -52.71 59.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 123.657 0.598 . . . . 0.0 110.96 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.6 tt0 -59.47 -41.58 90.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.117 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 42.5 ttm -64.7 -35.28 80.54 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.559 0.695 . . . . 0.0 110.089 -172.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 11.3 m -70.64 -42.78 70.4 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.073 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 60.3 t -65.64 -43.41 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 109.79 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -62.43 -40.88 98.01 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.241 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' B' ' 65' ' ' LEU . 68.7 t60 -63.54 -34.14 77.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.79 0.329 . . . . 0.0 110.235 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 20.8 tp -55.66 -47.66 76.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' B' ' 86' ' ' LYS . 0.0 OUTLIER -65.39 -38.91 91.43 Favored 'General case' 0 CA--C 1.496 -1.107 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.282 178.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -57.6 -50.71 72.24 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.699 0.624 . . . . 0.0 110.223 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 96.7 mt -67.09 -30.42 70.44 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.812 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.03 -18.77 59.11 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.93 5.09 14.98 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.022 -0.424 . . . . 0.0 111.563 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.97 -11.75 60.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.583 0.706 . . . . 0.0 110.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.413 -2.275 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt . . . . . 0 CA--C 1.497 -1.067 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.23 -24.55 61.4 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.799 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -75.26 -46.15 35.52 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -64.49 -41.26 96.57 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.014 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.562 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.7 ttm180 -58.69 -56.94 15.67 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.227 176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.506 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.8 ttt180 -60.84 -42.62 98.15 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.172 0.589 . . . . 0.0 111.841 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.1 -50.24 74.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 123.637 0.585 . . . . 0.0 109.527 177.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -67.43 -29.07 68.45 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.1 mt -59.73 -53.27 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -65.42 -47.32 76.63 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.126 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 33.5 mt-10 -63.86 -37.02 85.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 m -77.3 -36.01 54.48 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.12 -32.97 69.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.887 0.851 . . . . 0.0 108.956 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -72.73 -43.66 62.68 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.166 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 11.4 pt20 -68.56 -31.57 70.88 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.525 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.63 -58.72 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.201 1.0 . . . . 0.0 110.524 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -60.75 -32.48 71.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.879 0.371 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -66.48 -53.24 37.42 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.716 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 83.3 mt -67.05 -39.82 87.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.397 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 35.1 mm -59.97 -54.06 39.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.235 0.541 . . . . 0.0 110.581 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp -68.08 -26.18 65.7 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.046 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -81.63 -25.65 35.46 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.054 0.454 . . . . 0.0 111.092 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.02 -34.62 24.27 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.832 0.825 . . . . 0.0 109.674 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 17.6 mt -93.23 -38.19 11.67 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.725 -174.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 51.26 65.05 1.6 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-O 122.337 1.065 . . . . 0.0 111.125 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -86.1 -80.16 0.24 Allowed 'General case' 0 N--CA 1.414 -2.273 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.141 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.54 131.92 12.9 Favored 'General case' 0 CA--C 1.486 -1.517 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -79.99 -15.73 56.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.958 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -70.95 -33.31 70.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.866 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -86.95 -20.17 27.71 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.269 0.557 . . . . 0.0 109.967 176.59 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.437 ' HA ' HD12 ' A' ' 75' ' ' LEU . 40.3 t-80 -71.53 145.46 49.1 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 171.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m 72.2 1.15 3.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.185 0.993 . . . . 0.0 111.497 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.613 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -131.32 21.48 4.79 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 11.7 mt -93.9 116.13 28.56 Favored 'General case' 0 N--CA 1.414 -2.257 0 CA-C-N 112.588 -2.096 . . . . 0.0 109.184 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.87 153.89 28.74 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.4 ttmt -49.61 -50.18 43.81 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.3 0.64 . . . . 0.0 112.268 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.0 69.22 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.926 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -40.12 30.72 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.49 -0.777 . . . . 0.0 108.99 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.0 mt -67.73 -47.82 78.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.305 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 82.3 mt -53.79 -52.91 58.75 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.754 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 23.1 tt0 -63.04 -34.8 78.35 Favored 'General case' 0 C--O 1.204 -1.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.999 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.61 -31.32 71.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.481 HG23 HD11 ' A' ' 61' ' ' ILE . 19.4 m -75.86 -46.93 27.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.936 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.715 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 51.9 t -62.51 -43.84 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.282 0.563 . . . . 0.0 109.841 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 69.2 mttt -64.64 -32.55 74.26 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' A' ' 65' ' ' LEU . 50.8 t60 -66.49 -34.37 77.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.637 177.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.6 pp -72.53 -28.5 62.89 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.125 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 10.9 mmm-85 -67.32 -42.58 83.38 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -61.25 -43.71 98.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.196 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 91' ' ' LEU . 87.3 mt -64.41 -46.27 83.97 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.962 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.8 mm-40 -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -175.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -12.76 57.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.866 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.933 -177.25 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.446 -0.664 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.92 -48.35 66.2 Favored 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 123.478 0.486 . . . . 0.0 110.166 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -56.97 -45.11 83.12 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.28 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.8 ttm180 -63.27 -53.5 51.9 Favored 'General case' 0 C--O 1.203 -1.393 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.929 178.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -51.83 -53.05 44.7 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.749 1.22 . . . . 0.0 111.901 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.92 92.07 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 122.553 0.341 . . . . 0.0 110.394 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -63.45 -35.26 79.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.151 0.282 . . . . 0.0 110.373 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.9 mt -59.45 -59.68 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -57.33 -46.21 83.48 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.19 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.98 -35.25 78.05 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -74.75 -37.75 62.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 119.851 -0.739 . . . . 0.0 109.661 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.62 -34.93 76.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -67.93 -49.46 61.66 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.11 -29.63 68.6 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.924 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.46 ' O ' HG12 ' B' ' 61' ' ' ILE . 6.7 tt -55.96 -58.5 7.64 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.279 1.032 . . . . 0.0 110.846 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -63.55 -30.32 71.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.825 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.42 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 89.1 m -67.6 -51.77 46.34 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.35 -32.77 73.1 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.506 HD11 HG23 ' B' ' 84' ' ' THR . 37.3 mm -63.78 -55.24 23.63 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-O 121.365 0.602 . . . . 0.0 110.15 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.65 -19.52 65.78 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.116 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -77.65 -32.35 53.22 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.031 0.443 . . . . 0.0 111.751 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.54 -32.14 26.02 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.681 0.753 . . . . 0.0 110.002 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.493 HD13 ' HE3' ' B' ' 67' ' ' LYS . 8.2 mt -102.01 -39.8 7.15 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.289 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt 50.17 40.6 22.32 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.917 0.887 . . . . 0.0 110.982 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.493 ' HE3' HD13 ' B' ' 65' ' ' LEU . 89.9 mttt -55.6 -62.82 1.43 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.865 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.7 t70 -162.03 135.09 6.09 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -87.66 -15.43 37.22 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.626 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 14.5 t -70.08 -45.18 67.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -75.16 -20.86 59.15 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 177.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -69.45 -28.55 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -90.95 15.71 10.92 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.904 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 71.78 0.83 Allowed 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.508 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 21.2 mt -116.55 117.92 31.2 Favored 'General case' 0 N--CA 1.395 -3.187 0 CA-C-N 113.899 -1.501 . . . . 0.0 111.602 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.65 151.73 28.83 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.8 ttmt -52.63 -42.86 65.0 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.398 0.618 . . . . 0.0 111.319 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.75 -35.38 72.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.547 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.87 -39.78 34.29 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.002 0.906 . . . . 0.0 108.594 -173.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' B' ' 58' ' ' LYS . 76.8 mt -63.51 -51.49 69.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.068 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 83.4 mt -57.84 -47.7 81.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 19.8 tt0 -58.85 -41.92 88.1 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.564 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.454 ' HG3' HG21 ' B' ' 61' ' ' ILE . 36.0 tpp -68.99 -29.51 67.73 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.71 0.767 . . . . 0.0 109.622 -174.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.506 HG23 HD11 ' B' ' 61' ' ' ILE . 20.9 m -75.05 -45.47 41.34 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.072 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 68.9 t -65.68 -42.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.915 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 44.6 mttm -63.12 -36.86 84.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.077 0.465 . . . . 0.0 111.306 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -66.86 -34.29 77.47 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.561 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 3.1 pp -67.64 -33.54 75.17 Favored 'General case' 0 C--O 1.204 -1.327 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.123 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -57.67 -48.99 77.98 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.1 -54.36 40.54 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.965 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.41 ' HB2' HD13 ' A' ' 91' ' ' LEU . 95.6 mt -68.27 -17.42 64.28 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.401 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.95 -39.01 21.97 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.94 7.83 36.75 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.113 -172.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 -5.89 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.71 0.767 . . . . 0.0 109.897 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 CA--C 1.505 -0.779 0 CA-C-O 120.78 0.324 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.55 -34.43 75.83 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -67.98 -47.13 69.41 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -53.82 -52.85 59.03 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.053 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -68.56 -48.23 64.79 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.244 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' ILE . 79.1 ttt180 -53.28 -48.8 68.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.461 0.704 . . . . 0.0 111.685 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -60.69 -49.2 78.45 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.162 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -63.23 -33.24 75.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -57.36 -55.43 20.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.96 -45.62 91.61 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.65 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 54.7 mt-10 -63.26 -37.93 89.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 m -76.07 -39.86 54.45 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.273 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.5 -37.03 85.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 t -58.07 -54.79 42.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -70.17 -31.45 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.89 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -57.23 -59.87 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.349 0.659 . . . . 0.0 110.372 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.96 -27.71 69.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -66.98 -51.32 56.52 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.485 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.91 -31.83 64.91 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 61' ' ' ILE . 18.6 mm -64.52 -35.83 75.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.952 176.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -75.4 -38.89 59.63 Favored 'General case' 0 C--O 1.192 -1.944 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.516 179.135 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.85 -29.16 61.97 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.368 0.604 . . . . 0.0 112.025 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.38 33.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 122.087 -0.383 . . . . 0.0 110.044 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.37 -30.69 16.39 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.414 -0.915 . . . . 0.0 112.113 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 55.01 38.15 30.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.438 1.095 . . . . 0.0 111.588 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -55.8 -71.83 0.08 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.951 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -177.4 152.3 0.83 Allowed 'General case' 0 CA--C 1.465 -2.305 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -82.1 -27.63 32.74 Favored 'General case' 0 N--CA 1.408 -2.548 0 O-C-N 124.048 0.842 . . . . 0.0 111.547 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 t -69.67 -42.52 74.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.414 0.626 . . . . 0.0 109.323 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -7.61 56.96 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.06 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 15.0 t-160 -89.6 -36.5 15.26 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m -70.73 -11.01 60.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.988 0.899 . . . . 0.0 111.579 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -129.34 23.99 5.53 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.693 -179.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.547 ' HG ' HG13 ' A' ' 80' ' ' ILE . 12.7 tp -81.57 115.09 20.69 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.686 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.9 mm-40 -72.72 146.2 46.63 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.615 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -49.91 -43.51 49.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.261 0.553 . . . . 0.0 111.355 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.86 -35.02 70.37 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.553 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -79.19 -44.89 20.98 Favored 'General case' 0 CA--C 1.479 -1.776 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.417 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.547 HG13 ' HG ' ' A' ' 75' ' ' LEU . 81.4 mt -54.28 -51.96 43.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.227 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 80.9 mt -59.93 -49.7 76.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.739 0.304 . . . . 0.0 110.276 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.0 tt0 -58.02 -40.16 80.16 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.624 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -31.54 71.97 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.326 -173.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -72.68 -38.9 67.43 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.378 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 54.7 t -67.51 -44.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 66.2 mttt -61.67 -38.57 88.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.37 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.38 -35.19 78.41 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.6 tp -61.03 -43.97 98.09 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -65.6 -42.51 91.54 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.592 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -61.82 -42.3 98.85 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.861 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.27 -44.49 68.31 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.68 -30.39 71.4 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.158 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -4.69 46.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.682 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.952 0 CA-C-O 121.526 0.679 . . . . 0.0 110.981 -177.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 N--CA 1.443 -0.816 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -69.25 -40.44 77.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -60.54 -48.53 81.38 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.521 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.532 ' O ' HG13 ' B' ' 50' ' ' ILE . 14.5 ttt180 -62.63 -50.65 70.38 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.07 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -55.14 -44.71 75.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.331 1.052 . . . . 0.0 111.177 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.54 -53.85 52.7 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -61.89 -33.43 74.2 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.563 0.539 . . . . 0.0 111.725 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' ARG . 99.0 mt -60.16 -53.27 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -64.77 -42.68 94.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.411 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 44.1 mt-10 -60.49 -42.39 96.22 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.457 0.473 . . . . 0.0 111.861 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 23.2 m -74.57 -43.19 56.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.458 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 3.3 tt -63.67 -42.44 98.07 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.606 0.717 . . . . 0.0 109.94 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.2 m -68.66 -41.91 78.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.523 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.78 -31.23 67.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.406 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.423 HD21 ' OG1' ' B' ' 84' ' ' THR . 8.9 tt -55.96 -57.35 12.46 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.409 1.084 . . . . 0.0 110.358 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -61.35 -33.55 73.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -66.77 -50.52 62.43 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.07 -29.5 66.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.475 HD11 HG23 ' B' ' 84' ' ' THR . 31.5 mm -67.84 -48.4 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.021 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 4.3 mm? -64.61 -20.25 66.16 Favored 'General case' 0 C--O 1.188 -2.133 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 177.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.493 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 23.8 t70 -83.13 -37.57 23.58 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.145 0.497 . . . . 0.0 111.12 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.77 -34.4 58.03 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.976 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' B' ' 87' ' ' HIS . 4.4 mp -107.38 -37.04 6.34 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.019 -1.073 . . . . 0.0 111.008 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 26.9 mtmt 57.53 71.15 0.6 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.96 0.886 . . . . 0.0 110.68 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.59 -62.11 1.79 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.291 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . 0.404 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.7 t0 -173.57 149.47 1.65 Allowed 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.0 p -85.93 -21.83 27.74 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.513 0.508 . . . . 0.0 111.867 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -70.47 -46.81 63.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.644 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.08 -15.11 61.5 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.18 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 12.1 t-160 -77.6 -37.84 49.45 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.3 m -89.17 0.07 57.04 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.551 0.691 . . . . 0.0 112.174 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -107.28 -15.63 14.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.765 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 20.3 mt -39.82 110.54 0.15 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.436 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 39.5 mt-10 -80.71 150.61 29.27 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.443 ' O ' HD13 ' B' ' 81' ' ' LEU . 2.9 ttmp? -50.28 -46.68 55.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 112.213 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.37 -29.99 70.25 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 123.834 0.854 . . . . 0.0 112.331 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -78.68 -41.66 30.6 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 72.1 mt -64.6 -51.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.602 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -54.93 -53.12 59.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.663 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.7 tt0 -64.44 -35.66 81.65 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.352 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.468 ' HG2' HG21 ' B' ' 61' ' ' ILE . 44.3 ttp -60.67 -43.82 97.21 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.812 0.815 . . . . 0.0 110.348 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . 0.475 HG23 HD11 ' B' ' 61' ' ' ILE . 6.9 m -67.39 -41.75 84.46 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.46 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 47.4 t -64.62 -46.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.266 0.555 . . . . 0.0 109.939 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.1 mtmt -61.85 -36.72 82.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.777 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . 0.545 ' CG ' HD11 ' B' ' 65' ' ' LEU . 55.2 t60 -70.49 -33.37 71.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.7 pp -66.74 -33.4 75.55 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.915 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.681 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.3 mpt_? -57.64 -50.93 71.52 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 123.507 0.505 . . . . 0.0 109.967 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.4 -47.58 81.32 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 123.897 0.748 . . . . 0.0 111.056 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.23 -22.48 62.9 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.104 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.09 -38.34 31.91 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 120.897 0.38 . . . . 0.0 111.782 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.1 OUTLIER -102.48 13.45 34.51 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.117 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.5 52.39 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.637 0.732 . . . . 0.0 109.787 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.416 -2.173 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.409 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.505 -0.781 0 CA-C-O 121.043 0.449 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.51 -25.77 45.68 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.834 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -34.72 60.63 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -59.7 -50.51 73.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.862 173.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.6 ttm180 -59.22 -48.2 82.52 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.658 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.7 ttt180 -53.63 -49.83 67.02 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.642 0.777 . . . . 0.0 110.969 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.54 -47.35 85.9 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 49' ' ' ARG . 22.4 tpt180 -63.17 -34.47 77.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.671 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.0 mt -60.12 -53.49 47.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.677 175.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -59.47 -43.08 93.33 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.711 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 58.0 mt-10 -59.52 -42.55 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.638 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -76.67 -37.02 56.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.474 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.08 -40.57 78.38 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.677 0.751 . . . . 0.0 109.268 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -69.2 -44.18 72.63 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.771 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -71.22 -27.98 63.87 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.414 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' OG1' ' A' ' 84' ' ' THR . 9.3 tt -58.24 -57.22 13.86 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.273 0.629 . . . . 0.0 110.217 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -61.77 -33.28 73.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -69.48 -47.93 62.32 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.452 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.1 -37.32 72.4 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.43 HG21 ' HG2' ' A' ' 83' ' ' MET . 35.4 mm -62.43 -41.89 93.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.89 0.853 . . . . 0.0 109.201 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 6.5 tp -73.44 -20.61 60.67 Favored 'General case' 0 C--O 1.198 -1.617 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.472 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.18 -33.23 24.24 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.838 0.828 . . . . 0.0 111.049 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -80.77 -37.7 29.89 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.912 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.36 -29.68 10.59 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.78 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 28.1 mtmt 59.17 55.18 4.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.506 0.669 . . . . 0.0 111.989 172.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.82 -72.54 0.15 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.832 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.58 146.21 2.15 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.9 m -83.76 -19.76 34.55 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 123.558 0.536 . . . . 0.0 110.791 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 m -71.88 -40.88 68.63 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 109.415 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -23.42 60.72 Favored 'General case' 0 C--O 1.203 -1.343 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.435 ' ND1' HD22 ' A' ' 62' ' ' LEU . 25.5 t60 -68.34 -28.95 67.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 176.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -86.15 -10.88 53.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.852 0.834 . . . . 0.0 112.081 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HE2' ' O ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -91.9 -40.32 11.23 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' HG13 ' A' ' 80' ' ' ILE . 6.7 tp -38.41 98.17 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 128.57 2.748 . . . . 0.0 111.908 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.4 167.63 19.22 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.413 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.4 ttpt -59.13 -40.25 84.86 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.346 0.593 . . . . 0.0 111.8 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -63.21 -30.48 71.61 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.218 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.37 -52.97 8.25 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.462 HG13 ' HG ' ' A' ' 75' ' ' LEU . 84.2 mt -49.05 -52.44 10.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 113.823 -1.535 . . . . 0.0 112.23 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.9 mt -61.03 -50.04 74.95 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 123.165 0.29 . . . . 0.0 111.049 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 31.0 tt0 -62.99 -33.38 75.28 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.43 ' HG2' HG21 ' A' ' 61' ' ' ILE . 37.3 ttp -56.89 -53.9 52.61 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.453 ' OG1' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -55.39 -44.19 75.9 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.569 0.224 . . . . 0.0 111.548 176.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' LEU . 44.2 t -59.42 -51.39 73.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.529 0.681 . . . . 0.0 110.744 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mtmt -65.8 -30.67 71.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.837 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -77.73 -25.42 49.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.686 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tm? -61.42 -43.03 99.57 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 6.6 mmm-85 -60.53 -48.76 80.34 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.718 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.48 -54.4 47.5 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.371 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.59 -30.65 71.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.798 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.585 HE21 ' HB1' ' B' ' 64' ' ' ALA . 12.3 mm-40 -75.81 -19.38 58.99 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.7 ppt_? -110.57 10.07 23.05 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.789 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 0.0 110.083 179.431 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--O 1.211 -0.951 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.48 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.16 -47.56 79.38 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.967 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.451 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.9 ttm180 -58.52 -53.27 60.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 123.748 0.655 . . . . 0.0 110.298 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' B' ' 50' ' ' ILE . 64.1 ttt180 -53.55 -47.31 70.14 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 124.626 1.17 . . . . 0.0 110.562 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.63 -52.26 66.16 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . 0.55 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 9.6 tpp180 -60.23 -31.59 70.33 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.101 0.251 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.461 HD13 ' HE3' ' A' ' 77' ' ' LYS . 97.0 mt -62.99 -57.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -62.73 -38.37 90.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.39 -37.61 77.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.247 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . 0.515 ' HA ' HE21 ' B' ' 56' ' ' GLN . 19.8 p -72.02 -36.0 69.56 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.652 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.37 -38.0 88.73 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.138 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 t -63.94 -49.84 71.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.527 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' B' ' 53' ' ' SER . 26.8 pt20 -69.2 -28.03 66.01 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.58 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 53' ' ' SER . 8.6 tt -60.94 -59.12 5.88 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.066 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -57.78 -38.9 76.26 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.234 0.334 . . . . 0.0 110.609 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.6 m -58.79 -52.66 64.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.848 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.2 -29.37 57.61 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.93 -47.42 88.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 120.899 0.38 . . . . 0.0 110.259 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.93 63.34 Favored 'General case' 0 C--O 1.205 -1.287 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 59' ' ' THR . 6.1 t70 -73.28 -37.62 66.19 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 121.135 0.493 . . . . 0.0 111.07 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.585 ' HB1' HE21 ' A' ' 92' ' ' GLN . . . -82.83 -42.93 17.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.301 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.46 -29.97 27.61 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.018 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt 49.77 67.31 0.92 Allowed 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 124.381 1.072 . . . . 0.0 113.107 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.468 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -83.8 -72.83 0.44 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.145 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -175.29 155.51 1.89 Allowed 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 t -80.89 -29.16 35.72 Favored 'General case' 0 N--CA 1.405 -2.688 0 O-C-N 123.738 0.649 . . . . 0.0 111.719 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -64.23 -47.09 80.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.729 0.3 . . . . 0.0 110.473 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 9.5 ptp180 -68.7 -38.85 80.6 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.258 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 10.7 t-160 -56.65 -33.75 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 26.6 m -77.64 -1.23 29.89 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 122.089 0.947 . . . . 0.0 111.561 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' OD2' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -109.82 -29.14 8.43 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.002 176.202 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.411 HD23 HG12 ' B' ' 80' ' ' ILE . 3.5 tp -45.03 110.99 0.27 Allowed 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.761 1.624 . . . . 0.0 113.026 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.2 164.8 17.87 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.631 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.671 ' HE3' HD13 ' A' ' 50' ' ' ILE . 25.5 ttpt -54.65 -40.22 68.8 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.541 0.525 . . . . 0.0 111.732 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.93 68.84 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.495 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.455 ' OD2' ' HE2' ' B' ' 74' ' ' LYS . 42.5 m-20 -77.7 -53.01 8.04 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.411 HG12 HD23 ' B' ' 75' ' ' LEU . 83.1 mt -50.07 -50.13 20.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 113.664 -1.607 . . . . 0.0 111.535 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.508 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -60.44 -46.75 88.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.63 0.581 . . . . 0.0 112.203 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.682 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.3 tt0 -64.82 -37.54 87.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.767 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 27.6 tpp -62.06 -30.95 71.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -44.26 49.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.519 0.676 . . . . 0.0 109.493 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.6 t -61.82 -40.62 87.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.375 0 CA-C-O 122.268 1.032 . . . . 0.0 109.676 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.3 mtmt -69.25 -30.64 68.81 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.031 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.52 80.6 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -52.76 64.2 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.477 ' NH1' HG12 ' B' ' 85' ' ' VAL . 4.5 mpt_? -58.68 -46.91 86.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.721 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 90.0 m-20 -59.75 -47.9 83.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 123.571 0.748 . . . . 0.0 112.588 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -74.05 -37.01 64.42 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . 0.54 HE21 ' HB1' ' A' ' 64' ' ' ALA . 13.3 mm-40 -70.18 -24.11 63.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -86.76 -8.64 57.19 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.775 0.798 . . . . 0.0 109.643 -179.433 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.22 59.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.004 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 120.853 0.359 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.85 -30.28 66.63 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.239 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -71.74 -34.97 69.97 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -64.08 -43.17 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.576 0.703 . . . . 0.0 109.441 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.37 -49.36 60.74 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.813 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.12 -46.86 75.62 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.433 1.093 . . . . 0.0 111.755 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.25 -49.33 74.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.29 -36.92 83.58 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.041 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.76 -49.7 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 110.0 176.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -63.96 -44.81 91.65 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 30.1 mm-40 -63.48 -40.5 97.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.215 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.5 p -74.93 -41.81 58.94 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.933 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.2 -40.58 96.54 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -68.28 -42.4 79.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.327 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -69.38 -32.76 72.0 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 119.711 -0.796 . . . . 0.0 108.862 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD21 ' OG1' ' A' ' 84' ' ' THR . 8.3 tt -57.66 -58.86 6.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.961 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.83 -34.83 72.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.254 0.346 . . . . 0.0 111.092 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 m -64.12 -52.95 56.68 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.918 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.22 -33.45 67.58 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -65.53 -52.36 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 O-C-N 123.105 0.253 . . . . 0.0 111.424 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -61.75 -32.04 72.26 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.591 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.8 -26.73 57.53 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 123.893 0.877 . . . . 0.0 111.148 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -83.63 -29.32 27.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.177 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.9 mp -98.04 -35.71 10.35 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.002 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 58.96 69.41 0.73 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.921 1.343 . . . . 0.0 111.878 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HE2' HD22 ' A' ' 65' ' ' LEU . 67.3 mttm -85.94 -65.79 0.97 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 112.929 -1.942 . . . . 0.0 111.214 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -175.18 147.25 0.89 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 t -83.03 -20.16 35.54 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-O 121.072 0.463 . . . . 0.0 110.492 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -71.78 -43.66 65.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -6.43 56.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.369 0.604 . . . . 0.0 110.349 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 13.1 t-160 -89.38 -18.3 27.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.875 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 m -98.09 -4.81 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.876 0.846 . . . . 0.0 111.187 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.38 73.83 1.55 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.75 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.1 tp -126.79 107.32 10.03 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.27 -173.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -76.73 149.89 36.32 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.538 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -48.35 -45.7 35.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.209 0.603 . . . . 0.0 112.422 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -63.87 -31.72 73.0 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.95 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -78.44 -35.2 47.19 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.245 1.021 . . . . 0.0 108.506 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.8 mt -67.9 -52.33 40.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.736 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 mt -55.8 -51.77 66.32 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 123.378 0.424 . . . . 0.0 109.971 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 24.3 tt0 -59.36 -36.51 75.86 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.505 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.0 ttm -67.54 -39.75 85.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.814 0.816 . . . . 0.0 109.519 -176.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.427 ' OG1' HD21 ' A' ' 57' ' ' LEU . 9.0 m -67.7 -44.81 76.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.004 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 81' ' ' LEU . 45.2 t -66.38 -43.41 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.43 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.25 -36.09 82.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.538 -178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' A' ' 65' ' ' LEU . 9.9 t-80 -70.67 -27.25 63.88 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 27.1 tp -61.85 -45.63 92.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.8 mpt_? -57.77 -47.57 82.14 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.443 0.464 . . . . 0.0 109.804 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -54.38 -54.44 40.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 124.126 0.891 . . . . 0.0 111.623 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -66.27 -34.98 79.22 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.355 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -70.14 -19.6 63.21 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.1 ppt_? -111.04 -1.57 16.24 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 121.929 -0.482 . . . . 0.0 111.84 -175.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.188 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.53 -177.21 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 CA--C 1.502 -0.877 0 N-CA-C 111.368 0.136 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -68.86 -46.95 67.17 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -59.39 -49.94 75.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.44 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ARG . . . . . 0.568 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.4 ttm180 -63.96 -57.17 10.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.388 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.6 ttt180 -60.08 -39.14 85.03 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 122.97 0.508 . . . . 0.0 111.847 -174.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -57.08 -54.51 45.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.593 0.558 . . . . 0.0 109.555 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -65.66 -27.97 68.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.986 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 46' ' ' ARG . 92.7 mt -61.54 -54.14 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -66.04 -43.72 86.73 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.473 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 49.1 mt-10 -61.66 -43.2 99.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.875 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -75.99 -37.66 58.25 Favored 'General case' 0 N--CA 1.436 -1.175 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.978 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.77 -39.32 80.29 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -65.5 -48.77 71.45 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . 0.464 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.3 pt20 -68.6 -28.75 67.2 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.518 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.82 -58.74 7.05 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -61.32 -30.56 70.57 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 50.0 m -66.78 -54.7 20.01 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.921 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.64 -41.04 96.42 Favored 'General case' 0 C--O 1.2 -1.506 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.439 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.65 -45.9 90.55 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 CA-C-O 121.599 0.714 . . . . 0.0 111.482 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.457 HD22 ' HD2' ' B' ' 67' ' ' LYS . 0.8 OUTLIER -70.02 -41.92 73.64 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.068 -177.179 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.431 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 9.8 t70 -79.93 -28.08 39.76 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -173.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -31.85 31.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.73 -16.4 15.46 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 118.671 -1.212 . . . . 0.0 112.686 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' B' ' 63' ' ' ASP 0.267 23.5 mtmt 48.74 65.26 1.4 Allowed 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.635 1.174 . . . . 0.0 113.862 178.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.457 ' HD2' HD22 ' B' ' 62' ' ' LEU . 47.8 mttp -62.31 -80.84 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.548 -2.115 . . . . 0.0 111.365 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -177.27 154.22 1.02 Allowed 'General case' 0 CA--C 1.475 -1.912 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -85.36 -26.41 26.51 Favored 'General case' 0 C--N 1.269 -2.898 0 O-C-N 123.818 0.699 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.0 t -67.8 -43.66 79.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -10.13 59.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.695 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.456 ' ND1' ' HG ' ' B' ' 62' ' ' LEU . 80.2 t60 -67.44 -21.45 65.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.532 0.682 . . . . 0.0 109.375 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -85.39 10.19 13.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -141.98 73.23 1.4 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.555 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.0 OUTLIER -133.49 117.04 16.69 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.987 174.322 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -94.61 159.31 15.14 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 24.7 ttpt -55.57 -41.44 73.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.212 0.46 . . . . 0.0 112.006 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.92 71.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.183 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.61 -43.01 27.41 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.967 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.78 -46.19 96.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.845 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.8 mt -62.02 -50.54 71.61 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.399 0.437 . . . . 0.0 110.129 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 14.7 tt0 -57.83 -37.68 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.956 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.1 tpp -59.64 -48.64 80.85 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 123.541 0.526 . . . . 0.0 109.859 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -40.99 90.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' VAL . . . . . 0.537 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 48.4 t -65.75 -48.41 82.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.197 0.522 . . . . 0.0 110.096 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 77.9 mttt -65.38 -33.72 76.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.439 0.638 . . . . 0.0 110.764 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.27 -26.99 60.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.477 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 24.3 tp -60.27 -43.75 95.94 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 7.6 mmm-85 -61.34 -48.23 82.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.952 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.53 -54.49 46.41 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.613 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 86.2 mt -70.84 -17.24 62.75 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.608 -176.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' GLN . . . . . 0.405 HE21 ' HB1' ' A' ' 64' ' ' ALA . 9.5 mm-40 -86.6 -19.58 29.16 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -107.75 4.94 26.18 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.669 179.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -12.87 61.73 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.953 0.882 . . . . 0.0 110.424 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.403 -2.809 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tptt 65.87 88.95 0.11 Allowed Pre-proline 0 CA--C 1.538 0.513 0 C-N-CA 124.148 0.979 . . . . 0.0 111.563 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -78.68 106.05 2.05 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 122.247 1.964 . . . . 0.0 111.302 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -87.26 102.06 14.12 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.9 m -116.9 -23.01 8.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.181 0.515 . . . . 0.0 110.654 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.52 101.68 5.23 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-O 121.02 0.438 . . . . 0.0 110.639 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.5 p -147.89 -45.66 0.16 Allowed 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.451 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.19 155.2 18.17 Favored 'General case' 0 N--CA 1.427 -1.579 0 N-CA-C 108.399 -0.964 . . . . 0.0 108.399 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -89.39 104.82 17.34 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 120.657 0.265 . . . . 0.0 111.41 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -87.41 86.86 7.28 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -144.77 127.04 15.77 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 113.306 -1.77 . . . . 0.0 107.92 -169.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m -135.31 132.02 37.19 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 119.502 -0.285 . . . . 0.0 110.48 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p 176.27 177.88 0.23 Allowed 'General case' 0 C--O 1.24 0.588 0 C-N-CA 125.082 1.353 . . . . 0.0 108.434 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HE2' ' HD2' ' A' ' 40' ' ' PRO . 6.4 mmpt? -91.02 131.95 35.7 Favored Pre-proline 0 C--N 1.305 -1.353 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 11.4 Cg_endo -56.73 -40.64 82.86 Favored 'Trans proline' 0 C--O 1.23 0.085 0 C-N-CA 123.272 2.648 . . . . 0.0 111.524 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.536 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.3 tt -68.83 -46.31 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.793 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm -67.16 -40.31 86.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.44 -25.2 63.09 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.775 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.2 60.22 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 79.2 mtp180 -65.99 -42.11 90.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 36.8 ttm180 -59.43 -48.62 80.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.612 175.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HA ' HD12 ' A' ' 50' ' ' ILE . 78.3 ttt180 -52.71 -45.25 66.83 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.176 0.99 . . . . 0.0 111.592 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.61 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.36 -49.96 75.36 Favored 'General case' 0 N--CA 1.445 -0.718 0 O-C-N 123.75 0.656 . . . . 0.0 109.703 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -65.03 -31.31 72.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 46' ' ' ARG . 87.7 mt -59.2 -52.73 57.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -63.1 -43.69 97.77 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.955 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 44.9 mt-10 -57.04 -45.77 82.92 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.356 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.8 m -69.1 -45.24 70.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.531 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tt -65.2 -36.29 83.73 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.692 0.62 . . . . 0.0 110.24 -177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 22.9 t -63.26 -53.34 54.47 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.198 0.523 . . . . 0.0 110.547 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -71.15 -25.76 62.7 Favored 'General case' 0 C--N 1.317 -0.848 0 O-C-N 121.776 -0.577 . . . . 0.0 110.892 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 61' ' ' ILE . 6.1 tt -59.38 -57.63 12.14 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 123.823 0.849 . . . . 0.0 110.487 177.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 55' ' ' SER . 65.8 pttt -58.64 -37.74 76.59 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 120.8 0.333 . . . . 0.0 110.706 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 70.8 m -58.81 -59.79 4.87 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.637 -176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.02 -27.89 66.93 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 84' ' ' THR . 41.0 mm -71.41 -55.26 14.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.266 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.7 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -174.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.662 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 3.6 m-20 -74.71 -24.77 58.8 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.07 63.95 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.902 -1.119 . . . . 0.0 111.971 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD22 ' NZ ' ' A' ' 67' ' ' LYS . 3.7 mp -99.95 -19.77 16.43 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 119.571 -0.852 . . . . 0.0 111.373 -178.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.662 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.3 mmpt? 63.35 48.83 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.641 175.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.834 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 48.2 mttp -57.41 -77.44 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.812 174.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.547 ' OD2' ' HB3' ' A' ' 70' ' ' SER . 34.0 t70 -168.74 131.45 1.35 Allowed 'General case' 0 CA--C 1.461 -2.462 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.6 m -86.78 -15.34 39.63 Favored 'General case' 0 N--CA 1.406 -2.644 0 C-N-CA 119.896 -0.722 . . . . 0.0 111.9 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.547 ' HB3' ' OD2' ' A' ' 68' ' ' ASP . 38.2 t -71.8 -49.67 36.57 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -71.63 -13.29 61.71 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-O 120.836 0.351 . . . . 0.0 110.859 178.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.58 ' HA ' HD13 ' A' ' 75' ' ' LEU . 14.1 t-80 -67.11 -16.74 64.51 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.156 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.1 p -79.17 -6.2 55.98 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.71 0.766 . . . . 0.0 110.989 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -142.89 74.81 1.46 Allowed 'General case' 0 N--CA 1.424 -1.764 0 CA-C-O 122.352 1.073 . . . . 0.0 109.101 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.58 HD13 ' HA ' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.39 123.64 50.56 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.853 171.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -64.99 142.88 58.28 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.0 ttmt -50.49 -39.73 49.13 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -64.99 -32.21 73.83 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.65 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.536 ' O ' ' HB2' ' A' ' 83' ' ' MET . 21.1 t70 -76.13 -34.33 59.45 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 78.8 mt -68.26 -50.18 60.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 114.038 -1.437 . . . . 0.0 110.653 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.6 mt -60.43 -50.96 71.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 11.5 tt0 -59.71 -35.51 74.66 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.834 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 24.6 tpp -67.37 -35.12 78.69 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.691 0.758 . . . . 0.0 109.298 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.439 HG23 HD11 ' A' ' 61' ' ' ILE . 14.1 m -72.3 -44.16 63.14 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 114.068 -1.424 . . . . 0.0 110.052 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 81' ' ' LEU . 60.8 t -63.8 -42.88 97.39 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 110.03 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mttm -66.3 -36.7 83.62 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.626 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.24 -27.07 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tt -64.47 -43.4 94.32 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.649 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 18.0 mmm180 -61.93 -45.04 95.45 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 114.517 -1.22 . . . . 0.0 109.137 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.52 -48.44 81.66 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.487 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.563 ' HA ' ' NE2' ' A' ' 95' ' ' GLN . 97.7 mt -62.99 -34.95 78.64 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.207 0.527 . . . . 0.0 111.697 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -70.53 -28.93 65.32 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.649 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -122.59 -7.88 8.56 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -173.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.53 -8.65 40.76 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.427 -0.796 . . . . 0.0 110.837 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.563 ' NE2' ' HA ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.636 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.429 ' O ' ' HD3' ' B' ' 28' ' ' PRO . 2.9 mpp? . . . . . 0 CA--C 1.501 -0.932 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.44 91.86 10.74 Favored Pre-proline 0 C--N 1.318 -0.768 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 171.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' B' ' 26' ' ' MET . 3.9 Cg_exo -81.3 176.2 8.95 Favored 'Trans proline' 0 N--CA 1.437 -1.816 0 C-N-CA 122.135 1.89 . . . . 0.0 111.203 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -67.93 95.65 0.55 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.95 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -62.85 129.5 40.7 Favored 'General case' 0 C--O 1.252 1.199 0 CA-C-O 121.748 0.785 . . . . 0.0 111.223 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -98.18 122.74 41.71 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.175 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 2.6 p -85.05 85.77 7.45 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -81.33 100.75 9.38 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.852 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -109.9 121.97 46.47 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 171.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -75.13 119.82 19.8 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.493 0.663 . . . . 0.0 111.973 -172.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -158.54 87.34 0.88 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 173.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.5 m -95.46 154.59 17.13 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.556 -174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 15.9 p -152.96 -78.64 0.11 Allowed 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.9 mmpt? -105.93 116.76 59.16 Favored Pre-proline 0 C--N 1.278 -2.512 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.596 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.04 -40.96 81.71 Favored 'Trans proline' 0 C--N 1.33 -0.397 0 C-N-CA 123.316 2.678 . . . . 0.0 111.552 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.573 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 9.1 tt -69.82 -45.84 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.212 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.608 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.1 mmt -69.39 -39.87 77.73 Favored 'General case' 0 CA--C 1.496 -1.097 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.45 -26.05 62.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tmmm? -75.28 -40.74 58.4 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 69.5 mtp180 -62.83 -40.81 98.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.46 176.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.573 ' O ' HG13 ' B' ' 50' ' ' ILE . 37.8 ttm180 -58.06 -54.8 42.84 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.267 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' B' ' 50' ' ' ILE . 20.2 ttt180 -52.1 -50.02 62.45 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 124.535 1.134 . . . . 0.0 111.305 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.85 -48.21 78.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.103 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.408 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 12.6 tpp180 -66.25 -31.11 71.73 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.954 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -61.59 -45.21 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.33 -43.39 86.26 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.173 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 28.4 mm-40 -57.05 -44.8 83.35 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.981 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 10.1 p -76.31 -42.07 46.45 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.575 -176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.55 -38.56 91.61 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.71 -49.72 71.98 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.707 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -68.54 -32.63 72.71 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.731 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -56.02 -58.46 7.83 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 124.006 0.923 . . . . 0.0 109.67 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.02 -44.35 70.88 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.914 0.885 . . . . 0.0 110.725 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 98.0 m -60.43 -55.31 35.06 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.943 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.02 -31.61 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.444 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 28.2 mm -66.72 -55.5 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.515 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.62 -28.76 70.13 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 0.5 OUTLIER -80.54 -25.79 38.44 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.77 -32.07 25.6 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.515 -0.874 . . . . 0.0 111.163 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -90.18 -30.52 17.54 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 120.436 -0.505 . . . . 0.0 111.073 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 56.33 58.07 4.51 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-O 122.133 0.968 . . . . 0.0 110.5 176.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.717 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -78.27 -73.8 0.3 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.368 -178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -169.59 154.01 5.35 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -85.65 -21.63 28.31 Favored 'General case' 0 N--CA 1.411 -2.398 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.757 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.4 t -73.64 -37.95 65.17 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.626 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -81.01 -6.49 58.85 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.313 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -81.87 -41.01 21.59 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 169.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 34.0 m -78.88 9.61 4.09 Favored 'General case' 0 CA--C 1.553 1.086 0 CA-C-O 121.731 0.777 . . . . 0.0 110.723 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -139.19 30.08 2.21 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-O 122.737 1.256 . . . . 0.0 107.615 178.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 17.9 mt -85.07 107.49 17.2 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.835 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.58 148.61 42.77 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 174.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 27.7 ttmt -50.9 -43.11 59.72 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.9 71.44 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.154 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' B' ' 83' ' ' MET . 39.3 t0 -74.36 -39.6 62.65 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -175.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 63.1 mt -66.25 -52.46 47.35 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.564 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.7 mt -57.94 -52.65 64.62 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.638 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 37.9 tt0 -68.08 -28.04 67.01 Favored 'General case' 0 C--O 1.192 -1.925 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.013 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.717 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 46.3 tpp -64.4 -36.65 84.84 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.444 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 7.8 m -65.42 -44.56 87.01 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.765 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.644 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 44.3 t -67.68 -39.71 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.769 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 49.7 mtmt -68.28 -39.02 82.27 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 122.06 -0.4 . . . . 0.0 111.05 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' B' ' 65' ' ' LEU . 67.8 t60 -64.95 -29.58 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.644 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 15.8 tp -62.88 -41.89 99.57 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 108.957 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 19.5 mmm180 -67.06 -40.96 87.2 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -62.14 -47.74 83.21 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.634 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 92.9 mt -64.78 -42.16 95.29 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.305 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.35 -12.02 59.14 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -104.18 -8.12 19.64 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.655 0.74 . . . . 0.0 111.631 174.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.12 36.99 1.03 Allowed 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.287 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 . . . . . 0 C--N 1.3 -1.546 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -178.177 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -104.48 110.44 64.28 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -88.99 -165.81 0.22 Allowed 'Trans proline' 0 C--O 1.254 1.294 0 C-N-CA 122.539 2.159 . . . . 0.0 111.276 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -79.84 97.15 6.55 Favored 'General case' 0 N--CA 1.427 -1.603 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.2 t -63.78 -28.66 70.02 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.121 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.13 73.14 10.68 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 171.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.3 m -77.19 95.2 4.24 Favored 'General case' 0 N--CA 1.42 -1.939 0 CA-C-N 114.633 -1.167 . . . . 0.0 109.902 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.97 -48.02 83.02 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.402 -1.272 . . . . 0.0 109.032 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -88.26 94.32 9.79 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-O 121.764 0.792 . . . . 0.0 109.731 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -166.61 -57.04 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -167.94 140.49 3.12 Favored 'General case' 0 N--CA 1.413 -2.28 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.09 135.47 36.34 Favored 'General case' 0 C--N 1.266 -3.053 0 C-N-CA 123.027 0.531 . . . . 0.0 109.749 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -87.5 -12.6 45.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.325 0.584 . . . . 0.0 111.373 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -106.08 114.5 62.46 Favored Pre-proline 0 N--CA 1.422 -1.845 0 O-C-N 122.008 -0.432 . . . . 0.0 111.54 175.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' HE3' ' A' ' 39' ' ' LYS . 23.8 Cg_endo -66.33 -33.2 39.44 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 123.01 2.473 . . . . 0.0 110.595 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.3 tt -66.94 -42.64 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.122 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.3 mmm -66.68 -43.92 83.14 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.99 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -74.9 -21.81 59.0 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.084 -0.646 . . . . 0.0 111.225 -177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.37 -42.22 54.52 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.302 -1.369 . . . . 0.0 107.302 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -61.33 -45.2 95.42 Favored 'General case' 0 C--O 1.246 0.921 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.554 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.555 ' O ' HG13 ' A' ' 50' ' ' ILE . 60.8 ttp180 -56.55 -54.31 47.38 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.035 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.709 ' HA ' HD12 ' A' ' 50' ' ' ILE . 47.3 ttp180 -52.77 -44.55 66.6 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.054 0.846 . . . . 0.0 112.639 -178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.17 94.42 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -63.73 -33.1 74.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.558 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 47' ' ' ARG . 87.6 mt -57.98 -55.27 22.86 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 175.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -62.47 -39.04 92.13 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.412 -177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 18.2 mm-40 -67.57 -36.53 81.1 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.193 177.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 m -76.13 -36.54 58.77 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.3 tt -67.79 -32.6 73.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.9 t -59.83 -53.96 51.78 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.988 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -70.45 -32.22 69.7 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.173 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.536 ' CD2' HG21 ' A' ' 84' ' ' THR . 2.0 tm? -54.07 -59.54 4.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.186 1.394 . . . . 0.0 108.229 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -58.26 -38.46 76.99 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.067 -0.97 . . . . 0.0 112.764 175.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.4 ' N ' ' HD3' ' A' ' 58' ' ' LYS . 88.6 m -62.76 -53.6 51.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.069 -178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.73 -28.9 66.19 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.562 HD11 HG23 ' A' ' 84' ' ' THR . 21.7 mm -66.59 -48.0 81.71 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.241 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -73.72 -20.62 60.47 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.231 -178.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -82.46 -37.8 24.86 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 122.62 0.368 . . . . 0.0 111.938 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.49 -44.09 15.09 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.129 0.49 . . . . 0.0 110.353 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' A' ' 87' ' ' HIS . 6.6 mp -82.66 -31.04 28.91 Favored 'General case' 0 CA--C 1.497 -1.088 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.57 -175.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 35.7 mtmt 47.86 67.78 0.77 Allowed 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 122.541 1.162 . . . . 0.0 112.251 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -67.3 -76.99 0.08 Allowed 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 112.997 -1.91 . . . . 0.0 109.876 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.1 t70 -176.32 152.16 1.08 Allowed 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 105.752 -1.944 . . . . 0.0 105.752 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.5 t -82.49 -24.87 33.97 Favored 'General case' 0 C--N 1.282 -2.358 0 CA-C-O 121.224 0.535 . . . . 0.0 109.949 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -72.43 -45.6 58.89 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.272 0.558 . . . . 0.0 110.562 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -84.09 -11.21 57.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.064 -177.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -57.18 -43.08 82.29 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.617 0.767 . . . . 0.0 109.95 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -78.84 14.09 1.48 Allowed 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -128.42 12.33 6.45 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-O 122.229 1.014 . . . . 0.0 109.478 173.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -81.02 111.53 17.58 Favored 'General case' 0 N--CA 1.417 -2.095 0 C-N-CA 119.666 -0.814 . . . . 0.0 109.32 172.028 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -77.8 163.92 25.67 Favored 'General case' 0 N--CA 1.418 -2.055 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.6 ttmt -52.59 -43.98 65.65 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.72 -27.59 69.01 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.034 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -78.54 -43.82 25.81 Favored 'General case' 0 CA--C 1.491 -1.316 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.56 -46.58 96.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.209 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 85' ' ' VAL . 7.0 mp -57.43 -52.97 63.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 5.6 pt-20 -67.21 -27.13 67.0 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.819 -176.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.6 tpp -69.62 -36.55 76.25 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.391 0.615 . . . . 0.0 109.706 -175.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.562 HG23 HD11 ' A' ' 61' ' ' ILE . 4.0 m -68.79 -37.54 79.36 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.675 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 81' ' ' LEU . 96.8 t -63.55 -46.19 95.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.197 175.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 46.9 mttm -62.88 -40.93 99.03 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.145 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' CG ' HD11 ' A' ' 65' ' ' LEU . 11.5 t-160 -60.68 -33.3 72.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.651 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.506 HD22 HH11 ' A' ' 89' ' ' ARG . 4.3 tt -65.47 -44.4 87.31 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.506 HH11 HD22 ' A' ' 88' ' ' LEU . 21.8 mmm180 -66.26 -47.09 74.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.09 -177.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -58.35 -45.91 87.28 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.248 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -69.2 -41.11 77.54 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.701 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -62.27 -28.18 69.53 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.31 9.7 41.56 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 121.8 0.809 . . . . 0.0 110.738 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.4 7.6 45.71 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.461 HE22 HD22 ' B' ' 91' ' ' LEU . 24.7 mt-30 . . . . . 0 N--CA 1.425 -1.72 0 N-CA-C 107.022 -1.474 . . . . 0.0 107.022 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 CA--C 1.491 -1.306 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.467 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 67.6 mttm -68.42 117.09 46.57 Favored Pre-proline 0 C--N 1.312 -1.041 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 27' ' ' LYS . 5.7 Cg_exo -73.02 124.79 9.85 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.443 2.096 . . . . 0.0 113.04 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.93 113.01 22.35 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 37.7 p 48.29 81.42 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.78 1.232 . . . . 0.0 114.213 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.44 81.12 1.86 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.293 0.568 . . . . 0.0 110.757 178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 10.8 p -91.45 -20.3 21.91 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.022 0.915 . . . . 0.0 109.881 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -141.08 166.16 25.55 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -75.71 65.81 1.93 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.947 0.879 . . . . 0.0 111.573 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -110.96 88.23 2.73 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -158.54 126.4 5.15 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m 60.89 52.61 4.13 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -174.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -77.5 82.78 3.93 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-N 114.374 -1.285 . . . . 0.0 112.103 -172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 0.0 OUTLIER -106.46 124.14 36.64 Favored Pre-proline 0 C--N 1.282 -2.327 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.307 170.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.456 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 18.3 Cg_endo -55.92 -40.25 86.22 Favored 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 123.084 2.523 . . . . 0.0 112.023 -174.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.7 tt -74.86 -44.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.131 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 91.9 mmm -69.11 -40.03 78.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 111.315 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.7 pt-20 -78.31 -19.89 52.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 119.809 -0.756 . . . . 0.0 111.293 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' B' ' 40' ' ' PRO . 40.2 ttpt -67.25 -39.76 86.16 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 172.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 76.6 mtp180 -66.48 -42.67 87.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.674 177.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.414 ' O ' HG13 ' B' ' 50' ' ' ILE . 54.2 ttp180 -58.43 -51.24 70.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.678 174.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.673 ' HA ' HD12 ' B' ' 50' ' ' ILE . 40.7 ttt180 -56.38 -37.89 70.7 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.831 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.65 -46.26 89.56 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 4.9 mpt_? -64.94 -32.65 74.47 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.349 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' B' ' 47' ' ' ARG . 81.9 mt -58.94 -52.88 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -61.28 -46.23 91.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.466 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 44.6 mm-40 -64.8 -34.86 79.36 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.046 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 40.0 m -77.14 -32.26 56.25 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 121.934 -0.479 . . . . 0.0 111.195 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -75.56 -35.41 60.65 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.534 0.683 . . . . 0.0 109.44 -178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.7 p -71.27 -42.0 69.33 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.885 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -66.86 -33.23 75.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.483 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 7.8 tt -58.62 -56.24 24.73 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.435 1.094 . . . . 0.0 109.115 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.511 ' HE3' ' NE2' ' B' ' 72' ' ' HIS . 37.1 ttpt -52.09 -42.67 63.41 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.079 0.952 . . . . 0.0 110.541 175.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 52.1 m -63.44 -55.57 23.13 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.604 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -30.06 68.75 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.453 HD11 HG23 ' B' ' 84' ' ' THR . 22.2 mm -64.73 -52.23 57.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' B' ' 66' ' ' LYS . 3.6 mm? -66.36 -19.64 65.86 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.72 -0.612 . . . . 0.0 111.92 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -82.51 -34.57 27.9 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.133 0.492 . . . . 0.0 111.339 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.22 -37.59 23.38 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.563 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.0 mp -94.3 -33.34 13.26 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.153 -1.019 . . . . 0.0 110.653 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 62' ' ' LEU . 35.0 mtmt 49.82 67.94 0.82 Allowed 'General case' 0 CA--C 1.496 -1.123 0 CA-C-O 122.512 1.149 . . . . 0.0 112.638 179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.635 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.3 mttm -82.75 -78.85 0.2 Allowed 'General case' 0 C--N 1.283 -2.291 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.372 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.521 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 10.7 m-20 -152.92 142.98 22.31 Favored 'General case' 0 CA--C 1.492 -1.254 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.8 p -86.9 -16.24 36.56 Favored 'General case' 0 C--N 1.287 -2.145 0 CA-C-O 121.004 0.43 . . . . 0.0 111.583 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 35.2 t -79.34 -32.55 43.3 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.73 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.521 ' HG2' ' HB2' ' B' ' 68' ' ' ASP . 15.3 ptp180 -74.99 -37.03 61.96 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 177.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.511 ' NE2' ' HE3' ' B' ' 58' ' ' LYS . 3.6 t-160 -48.76 126.65 12.39 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.547 1.139 . . . . 0.0 109.83 176.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . 0.349 53.9 m 86.23 -27.55 0.08 Allowed 'General case' 0 C--O 1.214 -0.815 0 C-N-CA 125.541 1.536 . . . . 0.0 113.739 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -90.27 -5.0 56.81 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 123.829 1.776 . . . . 0.0 106.88 171.444 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.483 HD23 HG12 ' B' ' 80' ' ' ILE . 14.2 tp -69.4 123.04 20.19 Favored 'General case' 0 N--CA 1.39 -3.474 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -79.21 155.21 28.72 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.503 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.492 ' HD2' HD13 ' A' ' 50' ' ' ILE . 34.2 ttmt -50.92 -43.28 59.92 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 123.828 0.705 . . . . 0.0 111.636 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.21 70.39 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.898 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -78.53 -52.08 9.01 Favored 'General case' 0 CA--C 1.49 -1.333 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.483 HG12 HD23 ' B' ' 75' ' ' LEU . 60.9 mt -52.83 -50.98 40.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.901 -1.5 . . . . 0.0 110.657 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.558 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -54.78 -53.07 59.98 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.211 0.319 . . . . 0.0 111.495 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.707 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -61.17 -37.33 82.51 Favored 'General case' 0 C--O 1.205 -1.252 0 O-C-N 123.368 0.417 . . . . 0.0 110.997 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.635 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 30.7 tpp -64.26 -38.67 91.88 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.553 0.692 . . . . 0.0 109.162 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.453 HG23 HD11 ' B' ' 61' ' ' ILE . 8.4 m -71.19 -41.86 69.77 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.008 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.626 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 60.9 t -59.65 -54.89 28.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 176.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.5 mtmt -56.1 -42.32 76.61 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.582 0.753 . . . . 0.0 111.531 -177.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.563 ' CG ' HD11 ' B' ' 65' ' ' LEU . 82.0 t60 -68.22 -32.18 72.2 Favored 'General case' 0 C--O 1.241 0.622 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.8 pp -74.1 -26.93 60.63 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 13.0 mmm180 -67.44 -46.84 71.9 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -54.43 -53.76 49.86 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.825 0.703 . . . . 0.0 109.689 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 95.6 mt -63.94 -17.42 63.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.4 -0.818 . . . . 0.0 112.509 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -82.16 -37.86 25.53 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.45 ' HD3' ' H ' ' B' ' 93' ' ' ARG . 0.0 OUTLIER -116.93 -17.32 10.43 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 117.868 -1.533 . . . . 0.0 114.719 -173.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.63 -1.23 20.71 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.67 0.748 . . . . 0.0 112.576 -173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.286 -2.162 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.424 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 64.6 mtm . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm 56.32 93.05 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 112.464 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -71.78 48.08 1.03 Allowed 'Trans proline' 0 CA--C 1.553 1.464 0 C-N-CA 123.851 3.034 . . . . 0.0 114.393 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -74.53 -55.08 6.32 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m -107.66 100.32 9.73 Favored 'General case' 0 N--CA 1.416 -2.168 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.66 -25.94 0.56 Allowed 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -123.71 -9.0 7.88 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.36 0.6 . . . . 0.0 110.45 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -58.94 -56.5 21.39 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 124.275 1.03 . . . . 0.0 109.382 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -156.65 117.18 3.64 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.457 -1.247 . . . . 0.0 107.739 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -93.7 70.55 4.14 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? 177.68 117.0 0.03 OUTLIER 'General case' 0 C--O 1.246 0.916 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.492 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.8 t 62.06 40.29 12.22 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 122.08 0.943 . . . . 0.0 109.161 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 m -77.93 36.7 0.23 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.718 1.207 . . . . 0.0 111.985 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HE3' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -104.62 139.42 20.08 Favored Pre-proline 0 C--N 1.304 -1.382 0 C-N-CA 123.306 0.643 . . . . 0.0 109.363 179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' HE3' ' A' ' 39' ' ' LYS . 18.5 Cg_endo -62.57 -33.67 77.42 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.619 2.213 . . . . 0.0 111.116 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.2 tt -70.99 -42.49 76.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.204 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.421 ' CG ' ' HB2' ' A' ' 39' ' ' LYS . 26.1 mmt -67.57 -41.52 84.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' A' ' 40' ' ' PRO . 10.5 pt-20 -69.22 -29.49 67.45 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.53 -41.08 76.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 82.5 mtp180 -62.17 -48.05 81.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.406 177.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' ILE . 20.5 ttm180 -59.23 -49.09 79.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.09 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.513 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.5 ttm180 -65.13 -35.02 79.8 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 123.942 0.897 . . . . 0.0 111.986 -177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -62.34 -45.84 91.37 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 174.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -63.71 -35.55 80.93 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.231 177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 47' ' ' ARG . 95.1 mt -58.07 -57.13 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 122.229 0.211 . . . . 0.0 110.437 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -60.89 -43.08 98.97 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.029 0.443 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 27.5 mm-40 -66.9 -34.17 77.2 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 m -76.41 -40.07 51.81 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.142 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -64.08 -43.13 96.37 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -59.72 -53.04 62.67 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.45 -29.27 67.87 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.108 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -56.13 -55.65 30.47 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 123.423 0.689 . . . . 0.0 109.198 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.86 -38.98 90.29 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.718 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.7 m -62.12 -58.32 8.23 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.494 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.87 -36.99 82.89 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.408 HD11 HG23 ' A' ' 84' ' ' THR . 27.7 mm -63.81 -55.79 20.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 177.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.548 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.8 OUTLIER -60.74 -39.46 88.75 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.662 -175.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -74.26 -24.83 59.34 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.15 -42.8 16.92 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-O 122.181 0.991 . . . . 0.0 109.713 -177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 mt -91.88 -33.69 14.82 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 114.089 -1.414 . . . . 0.0 110.84 -171.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt 57.72 73.77 0.45 Allowed 'General case' 0 CA--C 1.499 -1.003 0 CA-C-O 122.817 1.294 . . . . 0.0 110.377 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.67 -60.01 2.71 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 112.03 -2.35 . . . . 0.0 110.659 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 171.58 153.83 0.07 Allowed 'General case' 0 CA--C 1.487 -1.454 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 t -86.31 -24.15 26.01 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.471 -0.892 . . . . 0.0 109.993 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -73.61 -42.67 61.19 Favored 'General case' 0 N--CA 1.438 -1.059 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -77.17 -10.97 59.75 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.305 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.548 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 13.6 t-160 -72.91 -25.49 61.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.8 t -96.9 16.2 20.02 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -131.75 26.94 4.67 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-O 122.375 1.083 . . . . 0.0 108.435 -179.04 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 71' ' ' ARG . 1.9 mm? -84.59 127.98 34.35 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.302 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 79' ' ' ASP . 34.4 mt-10 -106.36 154.88 20.15 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 104.759 -2.312 . . . . 0.0 104.759 175.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.599 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 30.4 ttmt -52.55 -47.01 67.02 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 118.97 0.805 . . . . 0.0 112.7 -177.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.77 -31.53 72.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.446 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.425 ' HB3' ' H ' ' A' ' 76' ' ' GLU . 25.8 t0 -74.76 -32.74 62.16 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.125 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 77' ' ' LYS . 77.1 mt -70.38 -49.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 CA-C-N 114.131 -1.395 . . . . 0.0 109.725 177.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 64.9 mt -60.32 -53.03 62.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.556 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.656 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.1 tt0 -61.46 -34.57 75.66 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.785 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 40.2 ttp -62.09 -47.4 84.8 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.408 HG23 HD11 ' A' ' 61' ' ' ILE . 6.0 m -61.79 -37.92 86.16 Favored 'General case' 0 C--N 1.287 -2.131 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.311 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.555 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 47.2 t -70.41 -47.74 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.051 0.453 . . . . 0.0 110.708 178.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -63.73 -40.32 96.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.724 0.773 . . . . 0.0 110.108 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -72.41 -25.21 61.4 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.412 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.8 tp -61.54 -40.35 94.36 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.72 -42.34 91.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.83 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -59.42 -50.59 73.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.737 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.5 mt -68.38 -25.11 64.9 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -80.67 -27.85 36.97 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -3.33 54.59 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.01 -9.89 49.27 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.427 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.555 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 24.1 ttt . . . . . 0 CA--C 1.509 -0.606 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.34 151.04 32.94 Favored Pre-proline 0 C--N 1.297 -1.681 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 173.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.69 127.22 24.42 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.773 1.648 . . . . 0.0 109.222 172.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -104.58 8.09 35.28 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 122.217 1.008 . . . . 0.0 109.877 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 32.8 m -147.64 119.01 7.84 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.93 107.72 0.66 Allowed 'General case' 0 C--O 1.246 0.898 0 O-C-N 124.101 0.876 . . . . 0.0 111.534 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -143.44 38.72 1.39 Allowed 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.925 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -77.79 -72.6 0.35 Allowed 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -151.78 18.38 0.7 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.48 0.657 . . . . 0.0 109.643 -174.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 66.06 12.71 8.66 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.896 1.331 . . . . 0.0 110.618 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -114.08 83.44 1.87 Allowed 'General case' 0 N--CA 1.408 -2.557 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 178.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -86.36 -31.0 21.75 Favored 'General case' 0 C--N 1.269 -2.929 0 CA-C-N 113.908 -1.496 . . . . 0.0 110.915 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 25.4 m 60.37 26.67 16.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.637 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.596 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.7 mmpt? -96.88 122.1 57.58 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 122.058 -0.401 . . . . 0.0 112.002 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' HE2' ' B' ' 39' ' ' LYS . 29.3 Cg_endo -65.78 -33.15 44.79 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.987 2.458 . . . . 0.0 110.862 -178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 9.5 tt -68.29 -44.81 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.438 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 92.8 mmm -68.27 -37.67 80.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.689 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.4 -34.12 72.17 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.826 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -72.08 -40.93 67.91 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.998 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 81.9 mtp180 -59.18 -49.6 77.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 123.898 0.749 . . . . 0.0 109.941 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.495 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.5 ttm180 -68.52 -46.69 68.9 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.773 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' B' ' 50' ' ' ILE . 41.2 ttm180 -53.43 -51.39 62.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.664 0.786 . . . . 0.0 112.061 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -54.68 -50.24 68.7 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -58.45 -37.89 76.39 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.928 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.6 mt -58.54 -51.8 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.86 0.362 . . . . 0.0 110.811 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -64.49 -40.63 96.04 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.808 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 16.4 mm-40 -69.68 -39.61 76.88 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.343 -178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.8 p -73.52 -37.75 65.53 Favored 'General case' 0 N--CA 1.441 -0.91 0 O-C-N 121.914 -0.491 . . . . 0.0 109.867 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.12 -38.33 90.77 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t -61.58 -55.12 34.27 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.751 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -65.58 -32.29 73.8 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.054 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.76 -58.47 7.95 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.619 0.768 . . . . 0.0 109.572 176.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -53.02 -44.47 67.35 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.443 -1.253 . . . . 0.0 111.205 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 71.7 m -69.52 -50.01 49.15 Favored 'General case' 0 N--CA 1.427 -1.584 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.761 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.57 -33.21 68.89 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.665 -175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 26.5 mm -66.85 -48.55 79.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.537 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.5 OUTLIER -62.36 -34.39 76.59 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -77.22 -25.84 52.09 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 123.443 0.697 . . . . 0.0 111.701 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.86 -29.47 40.07 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.644 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.522 HD11 ' CG ' ' B' ' 87' ' ' HIS . 5.7 mp -100.96 -29.6 12.11 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.822 -0.751 . . . . 0.0 110.688 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt 58.24 65.66 1.24 Allowed 'General case' 0 C--O 1.245 0.845 0 CA-C-O 122.72 1.248 . . . . 0.0 112.182 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.585 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 67.2 mttm -82.83 -70.52 0.55 Allowed 'General case' 0 N--CA 1.437 -1.107 0 CA-C-N 113.269 -1.787 . . . . 0.0 111.473 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -174.72 140.38 0.58 Allowed 'General case' 0 CA--C 1.471 -2.065 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 20.2 m -80.12 -21.17 43.5 Favored 'General case' 0 N--CA 1.402 -2.851 0 O-C-N 123.721 0.638 . . . . 0.0 110.755 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 7.8 m -64.63 -49.78 69.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.107 0.48 . . . . 0.0 109.773 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.06 -20.14 61.71 Favored 'General case' 0 C--O 1.206 -1.215 0 CA-C-O 121.332 0.587 . . . . 0.0 110.65 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.476 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.0 t-160 -76.78 -19.75 57.23 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.983 177.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.8 m -85.48 -10.12 56.52 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-O 121.675 0.75 . . . . 0.0 111.954 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -150.22 65.97 0.96 Allowed 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' B' ' 75' ' ' LEU . 15.3 tp -107.94 131.4 54.58 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.905 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.405 ' OE2' ' HE2' ' B' ' 74' ' ' LYS . 81.2 mm-40 -83.44 150.5 26.0 Favored 'General case' 0 N--CA 1.406 -2.633 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.165 -176.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.431 ' HG3' HD13 ' B' ' 81' ' ' LEU . 22.8 ttpt -56.73 -36.34 69.62 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 124.108 0.88 . . . . 0.0 112.284 -175.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.44 -30.68 71.41 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.421 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.414 ' CG ' HD11 ' B' ' 75' ' ' LEU . 16.0 t70 -78.69 -47.55 16.73 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.441 HG12 HD23 ' B' ' 75' ' ' LEU . 73.6 mt -54.64 -53.47 31.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.385 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 6.6 mp -57.94 -51.12 70.95 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.788 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.3 tt0 -62.55 -37.29 85.55 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.75 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.585 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 42.7 tpp -64.59 -40.47 95.58 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 121.493 0.663 . . . . 0.0 109.768 -173.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 18.7 m -65.79 -42.4 90.81 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.214 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.535 HG23 ' O ' ' B' ' 81' ' ' LEU . 58.5 t -66.94 -49.31 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.265 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.4 mtmt -60.29 -41.97 94.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.629 -178.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.522 ' CG ' HD11 ' B' ' 65' ' ' LEU . 18.9 t-80 -69.12 -27.51 65.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.062 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -68.66 -35.95 77.91 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' B' ' 85' ' ' VAL . 19.9 mmm180 -73.07 -35.71 66.73 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.076 -0.965 . . . . 0.0 109.292 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.93 -41.73 92.44 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.87 -44.05 77.99 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.319 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.56 -28.15 68.95 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -7.33 59.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.617 . . . . 0.0 110.881 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.61 5.37 24.58 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.67 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 C--N 1.285 -2.214 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.775 -176.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 CA--C 1.517 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -123.23 99.8 39.98 Favored Pre-proline 0 C--N 1.323 -0.58 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.124 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -91.9 9.87 2.69 Favored 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 122.305 2.003 . . . . 0.0 109.801 173.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -129.03 -178.97 4.85 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 m 64.48 42.75 4.86 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.789 1.28 . . . . 0.0 108.267 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.67 -23.07 4.81 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.448 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.2 m -68.05 113.6 5.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 73.9 -12.31 0.87 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.145 1.378 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -79.76 -21.09 44.86 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -72.29 102.19 3.05 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 170.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -148.34 101.69 3.27 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.869 0.843 . . . . 0.0 109.061 -171.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.5 m -93.27 96.51 10.02 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.166 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -149.8 138.17 20.63 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -106.62 135.17 19.55 Favored Pre-proline 0 C--N 1.294 -1.845 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HA ' ' HG2' ' A' ' 43' ' ' GLU . 28.3 Cg_endo -65.1 -35.76 40.67 Favored 'Trans proline' 0 CA--C 1.534 0.482 0 C-N-CA 122.53 2.153 . . . . 0.0 110.506 176.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 9.4 tt -67.93 -43.04 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.37 177.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt -70.14 -38.96 75.63 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.721 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 40' ' ' PRO . 7.8 pt-20 -66.49 -31.23 71.84 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.641 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -69.44 -44.31 71.57 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 62.2 mtp180 -66.2 -45.03 82.22 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.507 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.0 ttm180 -61.42 -45.94 92.22 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.858 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.8 ttp180 -61.46 -38.89 88.88 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 123.533 0.521 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -58.44 -50.46 73.62 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 175.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -59.72 -39.9 86.19 Favored 'General case' 0 C--N 1.346 0.447 0 O-C-N 123.386 0.429 . . . . 0.0 109.962 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.0 mt -57.35 -55.67 19.54 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 C-N-CA 123.137 0.575 . . . . 0.0 110.246 178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -64.47 -39.98 94.83 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.649 -177.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 45.0 mt-10 -59.15 -45.55 90.7 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-O 120.955 0.407 . . . . 0.0 111.037 177.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.9 m -72.51 -40.9 66.46 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.51 -37.96 88.31 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.373 0.669 . . . . 0.0 109.949 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 t -63.5 -52.39 61.48 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.275 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.22 -32.43 72.62 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.33 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.94 -56.86 15.56 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 124.087 0.955 . . . . 0.0 110.606 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -63.72 -31.57 72.79 Favored 'General case' 0 C--O 1.216 -0.662 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.913 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.7 m -65.81 -54.21 29.92 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.04 -38.62 89.39 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.287 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.691 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 29.9 mm -63.2 -51.03 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.2 -32.45 74.04 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.621 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 51.3 m-20 -77.76 -25.85 49.44 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.83 -18.57 37.16 Favored 'General case' 0 C--N 1.293 -1.848 0 C-N-CA 119.209 -0.996 . . . . 0.0 109.837 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 21.2 mt -101.38 -34.86 9.43 Favored 'General case' 0 CA--C 1.489 -1.381 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.276 -177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.621 ' HE3' ' O ' ' A' ' 63' ' ' ASP . 10.7 mmpt? 60.52 39.07 18.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 124.245 0.965 . . . . 0.0 109.889 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HE2' HD13 ' A' ' 65' ' ' LEU . 65.0 mttm -64.45 -74.98 0.09 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.392 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -168.09 143.35 3.68 Favored 'General case' 0 CA--C 1.48 -1.73 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 36.2 t -86.86 -17.06 34.25 Favored 'General case' 0 N--CA 1.413 -2.279 0 O-C-N 123.353 0.408 . . . . 0.0 110.747 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.1 m -70.32 -48.01 58.48 Favored 'General case' 0 C--O 1.244 0.812 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' NH1' ' HG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -75.48 -12.75 60.3 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.17 -178.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.524 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 16.7 t-80 -60.99 -37.41 82.37 Favored 'General case' 0 C--O 1.223 -0.326 0 O-C-N 123.525 0.515 . . . . 0.0 109.923 176.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -82.85 -1.2 51.32 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.249 0.547 . . . . 0.0 111.664 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.33 13.55 17.83 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 122.554 1.168 . . . . 0.0 109.318 -179.153 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.574 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -81.01 111.62 17.66 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.989 175.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -83.47 164.01 20.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.413 ' O ' HD13 ' A' ' 81' ' ' LEU . 32.5 ttmt -50.06 -53.07 29.46 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.25 -24.91 67.83 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.505 0.669 . . . . 0.0 111.921 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.26 -38.57 35.16 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.574 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 65.8 mt -70.27 -52.31 31.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.143 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.2 mp -50.99 -52.92 37.88 Favored 'General case' 0 CA--C 1.516 -0.33 0 O-C-N 123.957 0.785 . . . . 0.0 111.861 -178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 33.5 tt0 -67.08 -36.58 82.31 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.106 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 56.2 ttm -63.38 -37.5 87.5 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.36 0.6 . . . . 0.0 109.607 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 m -65.33 -47.96 74.7 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.336 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 46.1 t -63.04 -45.33 99.05 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.3 mtmt -63.8 -34.11 77.17 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.603 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.451 ' ND1' HD21 ' A' ' 65' ' ' LEU . 42.0 t60 -73.26 -27.2 61.44 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.983 -0.448 . . . . 0.0 110.538 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -69.42 -36.17 76.44 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 15.1 mmm-85 -66.66 -44.87 80.71 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.029 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.453 ' HA ' ' HE ' ' A' ' 93' ' ' ARG . 96.4 m-20 -55.99 -49.39 73.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.052 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.96 -43.75 98.19 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 123.865 0.728 . . . . 0.0 110.584 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -59.8 -30.13 68.7 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.5 ppt_? -106.31 5.51 29.73 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.757 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.67 -10.95 59.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.841 0.829 . . . . 0.0 109.213 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 N--CA 1.421 -1.907 0 CA-C-N 114.932 -1.031 . . . . 0.0 108.723 -179.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 CA--C 1.495 -1.148 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 63.77 85.42 0.16 Allowed Pre-proline 0 C--O 1.241 0.631 0 O-C-N 123.948 0.78 . . . . 0.0 110.464 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.63 152.84 70.07 Favored 'Trans proline' 0 C--O 1.251 1.148 0 C-N-CA 122.985 2.457 . . . . 0.0 111.946 -178.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.4 69.2 10.4 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.781 0.801 . . . . 0.0 111.67 -178.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 31.4 m -156.32 88.43 1.08 Allowed 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -177.09 -48.28 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.943 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 6.2 m -79.89 97.92 6.91 Favored 'General case' 0 N--CA 1.433 -1.325 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.217 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -104.88 141.23 36.9 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -69.53 -54.59 13.4 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 120.907 0.385 . . . . 0.0 110.565 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -89.3 84.05 6.46 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -161.61 136.17 7.08 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -115.41 112.75 22.79 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-O 121.558 0.694 . . . . 0.0 111.615 -174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -164.86 173.46 11.68 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -90.24 123.1 66.61 Favored Pre-proline 0 C--N 1.282 -2.364 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.62 -38.32 90.85 Favored 'Trans proline' 0 C--O 1.23 0.11 0 C-N-CA 123.286 2.657 . . . . 0.0 112.245 -174.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tt -74.83 -43.69 46.21 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.359 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.412 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 96.1 mmm -66.2 -42.47 88.75 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -70.11 -28.15 65.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.121 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -67.15 -46.33 74.37 Favored 'General case' 0 C--O 1.244 0.778 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.537 ' O ' ' HD3' ' B' ' 49' ' ' ARG . 79.5 mtp180 -61.74 -50.19 73.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.549 178.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' B' ' 50' ' ' ILE . 31.8 ttm180 -56.51 -53.35 58.53 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.42 ' HA ' HD12 ' B' ' 50' ' ' ILE . 31.4 ttp180 -50.91 -46.34 60.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.936 0.895 . . . . 0.0 111.331 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -58.77 -54.07 51.29 Favored 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 123.221 0.608 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.537 ' HD3' ' O ' ' B' ' 45' ' ' ARG . 12.1 mpt_? -59.7 -33.31 71.43 Favored 'General case' 0 C--O 1.22 -0.452 0 O-C-N 123.591 0.557 . . . . 0.0 112.081 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.472 HG13 ' O ' ' B' ' 46' ' ' ARG . 95.5 mt -59.64 -51.16 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.044 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -66.15 -40.61 90.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.802 0.334 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 41.5 mt-10 -60.81 -43.42 98.21 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.679 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 21.8 p -76.95 -32.55 57.38 Favored 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.094 -177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.24 -38.65 68.88 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.564 0.697 . . . . 0.0 109.287 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 50.6 p -66.55 -45.29 79.85 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.622 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.1 -34.31 74.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.039 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.64 -58.19 8.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.359 1.064 . . . . 0.0 111.066 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.436 ' HB3' ' CG2' ' B' ' 80' ' ' ILE . 56.6 pttt -61.6 -34.9 76.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.284 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 85.2 m -63.55 -53.83 45.71 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.421 -178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.81 -31.83 73.24 Favored 'General case' 0 C--O 1.22 -0.461 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.4 HD11 HG23 ' B' ' 84' ' ' THR . 37.1 mm -68.88 -50.92 49.95 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 CA-C-O 121.435 0.636 . . . . 0.0 110.671 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -33.06 74.47 Favored 'General case' 0 C--O 1.196 -1.723 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -77.66 -27.95 51.1 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.978 0.511 . . . . 0.0 111.875 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.25 -36.35 58.53 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.784 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.586 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.0 mp -101.98 -30.08 11.42 Favored 'General case' 0 CA--C 1.502 -0.899 0 C-N-CA 118.576 -1.249 . . . . 0.0 111.802 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt 58.22 62.95 1.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.95 0.881 . . . . 0.0 111.796 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.626 ' HE2' ' SD ' ' B' ' 83' ' ' MET . 35.3 mttp -66.86 -79.12 0.05 Allowed 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 113.563 -1.653 . . . . 0.0 111.408 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.472 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 13.2 t70 -174.84 146.25 0.91 Allowed 'General case' 0 CA--C 1.484 -1.595 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -175.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 14.4 t -88.08 -16.05 34.58 Favored 'General case' 0 N--CA 1.409 -2.491 0 C-N-CA 119.544 -0.862 . . . . 0.0 112.331 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 32.7 t -71.78 -44.55 63.81 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 9.2 ptp180 -65.3 -36.88 85.42 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.513 ' HA ' HD12 ' B' ' 75' ' ' LEU . 25.5 t60 -57.99 -28.64 64.59 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.069 175.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.9 m -83.2 -2.93 56.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.764 0.792 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -120.54 11.78 11.4 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.614 1.197 . . . . 0.0 108.352 178.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 33.7 mt -84.87 115.21 22.64 Favored 'General case' 0 N--CA 1.408 -2.561 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.655 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.48 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 89.6 mt-10 -92.11 166.52 12.61 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 113.337 -1.756 . . . . 0.0 107.893 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.501 ' HD2' HD13 ' A' ' 50' ' ' ILE . 32.5 ttmt -49.49 -49.88 43.86 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 123.533 0.733 . . . . 0.0 112.94 -176.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.2 -28.83 70.02 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.182 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.48 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 6.7 m-20 -78.62 -47.37 17.24 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 121.948 0.88 . . . . 0.0 108.788 -174.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.436 ' CG2' ' HB3' ' B' ' 58' ' ' LYS . 86.6 mt -57.44 -49.47 80.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.859 175.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.4 mp -51.31 -52.82 41.86 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.414 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.684 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 33.0 tt0 -67.92 -33.26 74.35 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.888 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.626 ' SD ' ' HE2' ' B' ' 67' ' ' LYS . 50.5 tpp -63.4 -36.9 85.26 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 121.779 0.799 . . . . 0.0 109.229 -175.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.4 HG23 HD11 ' B' ' 61' ' ' ILE . 19.3 m -65.62 -47.39 75.79 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.031 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 81' ' ' LEU . 39.6 t -64.76 -40.51 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.341 0.591 . . . . 0.0 110.528 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.6 mtmt -67.2 -35.25 79.23 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.057 0.456 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.586 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.9 t-160 -72.29 -27.96 62.8 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.008 0.432 . . . . 0.0 109.968 176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.99 -40.89 97.19 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mpt_? -61.06 -44.58 97.17 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.449 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 92.2 m-20 -56.08 -45.99 79.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.677 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.75 -43.34 72.44 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 120.131 -0.628 . . . . 0.0 109.693 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -64.52 -12.1 40.99 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -101.2 -10.21 20.59 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 121.646 0.736 . . . . 0.0 110.395 -176.308 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.33 -0.94 40.11 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 . . . . . 0 N--CA 1.435 -1.182 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 CA--C 1.495 -1.163 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -130.31 98.49 20.67 Favored Pre-proline 0 N--CA 1.435 -1.185 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.45 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -83.97 147.57 11.88 Favored 'Trans proline' 0 N--CA 1.442 -1.539 0 C-N-CA 122.232 1.954 . . . . 0.0 111.658 175.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -132.72 -51.35 0.91 Allowed 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.127 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.8 m -113.99 39.34 2.74 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.532 1.158 . . . . 0.0 108.626 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.93 89.98 7.24 Favored 'General case' 0 N--CA 1.429 -1.5 0 CA-C-O 121.785 0.802 . . . . 0.0 109.123 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 p -75.13 -15.92 60.56 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.066 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 70.16 -65.93 0.3 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.264 1.426 . . . . 0.0 113.317 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -70.36 -37.84 74.67 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -92.24 136.55 33.1 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 172.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.603 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -158.62 -163.31 1.24 Allowed 'General case' 0 N--CA 1.42 -1.956 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -173.015 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.5 m 71.87 -32.84 0.25 Allowed 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -86.26 26.1 1.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 123.332 0.653 . . . . 0.0 111.234 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -79.58 130.95 66.2 Favored Pre-proline 0 N--CA 1.4 -2.955 0 C-N-CA 124.049 0.939 . . . . 0.0 113.181 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -61.7 -39.66 51.71 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 123.179 2.586 . . . . 0.0 110.328 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 tt -67.25 -39.21 82.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.551 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.91 -38.34 61.86 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.171 -175.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -71.64 -32.43 67.93 Favored 'General case' 0 C--O 1.209 -1.031 0 C-N-CA 119.995 -0.682 . . . . 0.0 109.708 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -65.33 -44.26 88.36 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.105 0.479 . . . . 0.0 110.644 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.23 -37.01 85.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.505 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.9 ttm180 -66.07 -46.51 77.48 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.815 175.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 50' ' ' ILE . 32.8 ttp180 -61.44 -39.67 91.69 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 124.473 1.109 . . . . 0.0 111.712 -179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.89 -47.19 83.53 Favored 'General case' 0 N--CA 1.432 -1.343 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -60.6 -42.82 97.55 Favored 'General case' 0 C--O 1.202 -1.433 0 O-C-N 123.858 0.723 . . . . 0.0 110.965 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 47' ' ' ARG . 93.3 mt -54.46 -52.6 38.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 123.199 0.6 . . . . 0.0 110.828 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -65.49 -45.19 84.6 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.991 -178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 13.3 mm-40 -63.91 -35.22 79.93 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.385 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t -75.18 -48.47 23.41 Favored 'General case' 0 N--CA 1.425 -1.693 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 -177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.8 tt -62.28 -36.44 82.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.737 0.779 . . . . 0.0 110.241 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.3 m -68.59 -42.52 78.08 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.062 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.67 -30.89 63.18 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.237 -0.914 . . . . 0.0 109.708 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.584 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.5 tm? -51.35 -59.37 4.3 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.26 1.824 . . . . 0.0 109.278 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -64.68 -32.49 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.892 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.7 m -66.04 -54.44 25.82 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.758 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.3 mt -68.88 -32.69 72.53 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 -174.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.547 HG23 ' ND1' ' A' ' 87' ' ' HIS . 11.7 mm -62.41 -46.16 97.07 Favored 'Isoleucine or valine' 0 C--O 1.26 1.621 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.011 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 ' ND1' ' A' ' 72' ' ' HIS . 7.5 tp -71.21 -31.84 68.1 Favored 'General case' 0 C--O 1.183 -2.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.382 -179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -73.64 -27.28 61.18 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 121.297 0.57 . . . . 0.0 111.593 -177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.16 -40.94 59.12 Favored 'General case' 0 N--CA 1.423 -1.817 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.97 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' ND1' ' A' ' 87' ' ' HIS . 7.3 mp -104.64 -30.63 9.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt 56.38 58.93 3.9 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 124.048 0.939 . . . . 0.0 113.094 174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -65.57 -72.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.566 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -162.22 144.87 11.37 Favored 'General case' 0 CA--C 1.497 -1.065 0 C-N-CA 124.182 0.993 . . . . 0.0 109.545 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 t -78.45 -32.73 48.63 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -60.31 -47.23 86.92 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.151 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -76.64 -16.55 59.52 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.322 -177.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.454 ' ND1' HD22 ' A' ' 62' ' ' LEU . 47.7 t60 -71.97 -30.93 65.78 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -91.59 10.5 27.78 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.979 -1.009 . . . . 0.0 110.403 -178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -131.02 24.68 4.95 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.01 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 38.7 mt -82.38 115.68 21.53 Favored 'General case' 0 N--CA 1.415 -2.19 0 CA-C-N 114.291 -1.322 . . . . 0.0 112.979 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.12 151.2 31.5 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' HD13 ' A' ' 81' ' ' LEU . 1.7 ttmp? -54.52 -41.7 69.97 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.313 0.578 . . . . 0.0 111.466 177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -26.28 65.96 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.472 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.9 -46.71 34.16 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.458 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.5 mt -58.79 -51.37 72.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.041 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.6 mp -55.61 -53.03 61.53 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.9 tt0 -62.99 -33.81 76.21 Favored 'General case' 0 C--O 1.205 -1.28 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.634 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.5 ttp -68.23 -39.86 82.2 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.519 HG21 HD21 ' A' ' 57' ' ' LEU . 12.5 m -67.64 -45.69 74.59 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.676 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.611 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 61.9 t -64.4 -41.46 92.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 CA-C-O 121.588 0.709 . . . . 0.0 110.57 177.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.74 -39.26 87.88 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.211 0.529 . . . . 0.0 111.013 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 61' ' ' ILE . 34.7 m170 -67.17 -26.92 66.88 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.747 176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.9 tp -58.36 -48.26 81.15 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 174.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 5.5 mpt_? -57.53 -48.71 78.55 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.865 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.419 ' HA ' ' NE ' ' A' ' 93' ' ' ARG . 84.4 m-20 -54.87 -51.24 66.58 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.002 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 94.2 mt -76.12 -17.22 59.69 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -74.92 -38.33 61.83 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.293 0.568 . . . . 0.0 109.875 172.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.6 ppt_? -100.79 17.36 22.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.055 -177.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.54 -10.29 59.74 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.508 0.67 . . . . 0.0 109.907 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.414 -2.271 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.125 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 26.2 ptm . . . . . 0 CA--C 1.513 -0.449 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -119.41 102.27 48.22 Favored Pre-proline 0 N--CA 1.436 -1.13 0 CA-C-O 121.301 0.572 . . . . 0.0 110.851 177.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -68.99 125.04 12.04 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 121.827 1.685 . . . . 0.0 108.691 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.46 ' HD3' ' H ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -69.49 -43.76 72.51 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.908 -0.717 . . . . 0.0 111.521 -179.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.9 m 54.65 31.74 15.82 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-O 122.367 1.079 . . . . 0.0 110.837 176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.7 87.83 2.7 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.684 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -151.56 120.47 6.63 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.454 ' HB2' ' HB3' ' B' ' 36' ' ' LYS . 8.9 pt-20 -123.92 110.38 14.75 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.014 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -97.15 -34.92 10.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.698 0.761 . . . . 0.0 109.189 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -133.8 97.36 3.88 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.454 ' HB3' ' HB2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -99.39 -1.54 38.45 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 122.693 1.235 . . . . 0.0 110.309 -179.464 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 m -80.52 6.18 13.17 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 113.285 -1.779 . . . . 0.0 109.826 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.2 m -67.95 -21.53 65.09 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 122.128 0.966 . . . . 0.0 108.432 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.4 mmpt? -99.23 125.47 41.33 Favored Pre-proline 0 N--CA 1.428 -1.57 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.357 176.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.69 -34.18 51.96 Favored 'Trans proline' 0 C--N 1.332 -0.3 0 C-N-CA 122.987 2.458 . . . . 0.0 110.707 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.7 tt -67.0 -42.44 88.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.538 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 25.5 mmt -68.49 -39.45 81.32 Favored 'General case' 0 CA--C 1.498 -1.03 0 N-CA-C 112.665 0.616 . . . . 0.0 112.665 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' B' ' 47' ' ' ARG . 12.3 pt-20 -70.34 -31.88 69.36 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -71.27 -40.56 70.85 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.547 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -60.03 -41.63 92.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.832 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.606 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.2 ttm180 -61.32 -57.76 11.0 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.588 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' B' ' 43' ' ' GLU 0.364 15.2 ptt180 -66.31 -32.59 74.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -176.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -60.48 -46.42 90.17 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.06 -31.35 68.92 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.606 HG13 ' O ' ' B' ' 46' ' ' ARG . 87.3 mt -58.87 -54.78 29.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.385 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -60.52 -47.79 84.62 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.083 0.153 . . . . 0.0 110.988 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 14.5 mm-40 -60.38 -40.8 92.13 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.912 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 34.9 m -76.35 -40.36 51.46 Favored 'General case' 0 C--O 1.192 -1.934 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.654 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -61.41 -39.25 90.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.952 0.901 . . . . 0.0 108.863 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -63.82 -45.78 88.08 Favored 'General case' 0 N--CA 1.419 -2.0 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.841 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -75.27 -28.69 59.9 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 119.476 -0.89 . . . . 0.0 110.708 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.529 ' CD2' HG21 ' B' ' 84' ' ' THR . 2.0 tm? -54.69 -59.0 5.3 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 126.128 1.771 . . . . 0.0 107.353 174.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -56.41 -47.62 78.63 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.232 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.8 m -59.77 -59.87 4.74 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.585 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.63 -30.51 70.79 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 33.0 mm -66.04 -52.81 44.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.113 176.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.73 -22.35 62.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.453 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 12.9 t70 -78.87 -26.32 43.96 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.402 0.62 . . . . 0.0 111.04 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.0 -31.71 25.33 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 20.3 mt -96.09 -38.14 10.31 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.453 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 39.9 mtmt 48.44 68.89 0.62 Allowed 'General case' 0 CA--C 1.495 -1.156 0 C-N-CA 124.906 1.282 . . . . 0.0 112.834 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -75.45 -60.69 2.19 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.12 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.99 145.96 1.92 Allowed 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.2 m -87.6 -15.67 36.69 Favored 'General case' 0 C--N 1.277 -2.564 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.273 -176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -71.59 -45.38 62.38 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.49 -6.83 59.35 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.64 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -56.28 -36.12 68.25 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 36.9 m -84.1 10.58 9.76 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.121 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.617 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -138.81 76.58 1.58 Allowed 'General case' 0 N--CA 1.427 -1.617 0 CA-C-O 122.702 1.239 . . . . 0.0 109.864 175.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.2 mm? -128.16 126.21 40.62 Favored 'General case' 0 N--CA 1.405 -2.707 0 CA-C-N 113.208 -1.814 . . . . 0.0 108.506 175.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -93.0 152.32 19.38 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.458 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.0 ttmt -48.05 -48.15 33.34 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.09 -30.54 71.07 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.638 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.21 -39.15 33.98 Favored 'General case' 0 CA--C 1.486 -1.507 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.732 -175.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 57' ' ' LEU . 63.9 mt -64.09 -49.48 81.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.341 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.37 -48.94 68.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.836 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.659 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.9 tt0 -64.89 -39.88 94.23 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.626 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 45.3 ttm -66.33 -31.65 72.58 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.296 0.57 . . . . 0.0 109.571 -174.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 7.2 m -70.1 -48.48 57.47 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.841 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 46.7 t -63.41 -39.23 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 110.645 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.2 mtmt -68.91 -36.66 78.29 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 121.677 -0.64 . . . . 0.0 110.955 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.488 ' CD2' HD21 ' B' ' 65' ' ' LEU . 21.1 t-160 -69.5 -27.82 65.52 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.632 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.8 tp -59.82 -45.89 90.95 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.321 175.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 5.3 mpt_? -58.64 -48.42 81.09 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 175.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -54.81 -50.31 68.86 Favored 'General case' 0 CA--C 1.493 -1.22 0 O-C-N 123.871 0.732 . . . . 0.0 111.999 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 94.7 mt -66.18 -43.33 87.2 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.072 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.04 -14.32 53.45 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 8.3 ppt_? -113.42 7.75 17.68 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.178 0.513 . . . . 0.0 111.146 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.43 -11.06 38.77 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.829 0.823 . . . . 0.0 108.997 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 N--CA 1.421 -1.878 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.9 -174.304 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.2 mmm . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -107.0 142.42 24.98 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.51 29.97 0.4 Allowed 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 123.679 2.92 . . . . 0.0 114.358 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt 69.75 144.93 0.05 Allowed 'General case' 0 C--O 1.242 0.701 0 C-N-CA 124.219 1.008 . . . . 0.0 111.807 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.1 m 70.69 -37.22 0.38 Allowed 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 125.032 1.333 . . . . 0.0 112.505 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 69.04 10.97 8.17 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.313 1.445 . . . . 0.0 111.92 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.7 m -144.17 128.41 17.75 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.587 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -98.56 14.44 28.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 123.181 1.467 . . . . 0.0 109.205 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -120.97 -176.53 3.28 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 175.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -71.03 -29.41 65.33 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 117.13 -1.828 . . . . 0.0 110.121 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -164.03 136.83 5.11 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t -166.56 173.08 10.11 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.0 t -109.93 -48.46 3.2 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HE3' ' H ' ' A' ' 39' ' ' LYS 0.26 0.0 OUTLIER -105.82 121.62 45.23 Favored Pre-proline 0 N--CA 1.385 -3.703 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 178.266 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 39' ' ' LYS . 71.1 Cg_endo -85.04 -36.1 0.14 Allowed 'Trans proline' 1 C--N 1.224 -5.996 0 C-N-CA 123.61 2.873 . . . . 0.0 111.395 175.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tt -84.48 -40.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.743 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.8 mmm -67.94 -37.66 81.9 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.979 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 39' ' ' LYS . 8.9 pt-20 -76.72 -27.69 55.53 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 119.473 -0.891 . . . . 0.0 110.285 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tmmm? -69.31 -37.47 77.77 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -66.71 -44.38 81.82 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.002 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 50' ' ' ILE . 49.6 ttp180 -55.66 -51.03 68.62 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.481 175.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.551 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.4 ttt180 -53.26 -40.0 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.826 1.251 . . . . 0.0 112.123 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.41 -53.32 58.12 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 123.586 0.554 . . . . 0.0 110.429 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -67.27 -25.49 66.09 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.685 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 47' ' ' ARG . 82.0 mt -60.37 -56.85 14.88 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -61.9 -42.96 99.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.618 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 52.8 mt-10 -56.85 -39.48 74.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.812 177.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.6 m -77.02 -40.11 47.7 Favored 'General case' 0 N--CA 1.426 -1.67 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.108 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -63.21 -40.43 97.44 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.302 0.641 . . . . 0.0 109.981 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -63.24 -51.37 66.51 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.434 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.41 ' HG3' HG11 ' B' ' 85' ' ' VAL . 12.1 pt20 -68.26 -31.04 70.23 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.504 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 6.8 tt -53.32 -58.24 7.76 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.428 1.091 . . . . 0.0 109.229 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 26.6 ttpp -55.55 -47.12 76.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.597 177.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.2 m -61.14 -47.48 86.02 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.396 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.77 -37.85 58.87 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 34.5 mm -61.97 -44.96 99.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.147 0.499 . . . . 0.0 109.852 177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.607 HD21 ' CG ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -61.47 -36.68 81.1 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.355 -179.347 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.588 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 10.9 t70 -76.18 -25.0 54.78 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.977 0.418 . . . . 0.0 112.069 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.12 -26.15 31.27 Favored 'General case' 0 C--N 1.289 -2.023 0 CA-C-O 121.428 0.632 . . . . 0.0 110.105 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD21 ' CD2' ' A' ' 87' ' ' HIS . 18.1 mt -105.12 -39.85 6.07 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.663 -176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.588 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 41.0 mtmt 44.19 58.82 3.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 124.502 1.121 . . . . 0.0 111.274 -177.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.502 ' HD2' ' NE2' ' A' ' 72' ' ' HIS . 93.5 mttt -67.54 -66.32 0.58 Allowed 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.938 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.596 ' HB3' ' HG2' ' A' ' 71' ' ' ARG . 34.3 t0 -169.85 138.23 1.77 Allowed 'General case' 0 CA--C 1.472 -2.026 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -178.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.3 m -78.12 -21.86 49.73 Favored 'General case' 0 C--N 1.262 -3.208 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.945 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.9 t -66.15 -54.95 19.19 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.679 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.596 ' HG2' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -66.58 -36.58 82.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.287 0.565 . . . . 0.0 110.947 -179.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.607 ' CG ' HD21 ' A' ' 62' ' ' LEU . 80.5 m-70 -77.6 8.58 4.19 Favored 'General case' 0 N--CA 1.431 -1.408 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -176.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.2 m -105.24 9.02 34.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.867 0.841 . . . . 0.0 109.147 172.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -135.73 24.69 3.39 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.685 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.599 HD22 ' HD1' ' A' ' 72' ' ' HIS . 1.3 tp -85.22 118.53 24.83 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-O 121.741 0.781 . . . . 0.0 111.225 -175.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -76.17 157.93 32.23 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.211 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HD2' HD13 ' B' ' 50' ' ' ILE . 34.1 ttmt -51.92 -46.45 64.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.412 0.625 . . . . 0.0 110.861 179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.18 -31.59 67.43 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.06 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.18 -42.29 26.43 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.681 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.453 HG12 HD23 ' A' ' 75' ' ' LEU . 70.4 mt -63.47 -47.64 90.72 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.495 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 85' ' ' VAL . 9.1 mp -57.27 -53.04 62.66 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.634 176.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 13.9 tt0 -56.19 -40.12 73.47 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.433 ' HB3' ' HE2' ' A' ' 83' ' ' MET . 44.2 ttp -68.05 -34.43 76.44 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.187 0.518 . . . . 0.0 109.763 -174.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.443 HG23 HD11 ' A' ' 61' ' ' ILE . 26.3 m -69.55 -45.09 69.56 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.093 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 81' ' ' LEU . 38.5 t -67.77 -41.33 85.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.682 0.753 . . . . 0.0 110.358 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.604 ' HG2' HH21 ' A' ' 89' ' ' ARG . 62.1 mttt -72.21 -30.12 64.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.997 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.555 ' CD2' HD21 ' A' ' 65' ' ' LEU . 12.1 t-160 -69.91 -28.42 65.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 174.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.2 tt -59.07 -50.57 73.58 Favored 'General case' 0 CA--C 1.507 -0.68 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.604 HH21 ' HG2' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -63.09 -35.05 78.96 Favored 'General case' 0 C--O 1.214 -0.766 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.029 177.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.489 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 89.4 m-20 -63.49 -42.85 98.54 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.188 0.518 . . . . 0.0 110.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' B' ' 91' ' ' LEU . 86.9 mt -69.66 -43.22 73.0 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.934 177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -66.28 -25.32 66.81 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.67 -2.89 58.83 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 121.266 0.555 . . . . 0.0 110.688 -178.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.11 -18.67 38.72 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.758 0.79 . . . . 0.0 110.008 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 . . . . . 0 C--N 1.303 -1.416 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.158 -174.167 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 CA--C 1.505 -0.771 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -144.17 81.78 11.28 Favored Pre-proline 0 N--CA 1.445 -0.677 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.68 132.2 24.58 Favored 'Trans proline' 0 C--O 1.242 0.721 0 C-N-CA 123.007 2.471 . . . . 0.0 113.313 -175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.84 29.02 11.21 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.446 1.098 . . . . 0.0 112.428 176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m 67.78 -74.09 0.08 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 123.777 0.831 . . . . 0.0 110.979 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 61.92 124.99 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.957 1.303 . . . . 0.0 111.946 -176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -107.67 79.13 1.25 Allowed 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.462 -0.774 . . . . 0.0 110.493 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -83.72 -30.47 26.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -79.74 82.6 5.82 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.642 -1.163 . . . . 0.0 112.832 -178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.39 162.07 10.14 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 174.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' B' ' 36' ' ' LYS . 39.8 tptt -118.51 104.63 10.86 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 117.782 -1.567 . . . . 0.0 111.341 -178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.47 149.85 25.98 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.429 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 15.2 m -77.31 -55.58 5.28 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 121.334 0.588 . . . . 0.0 112.282 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -104.51 118.76 55.82 Favored Pre-proline 0 C--N 1.277 -2.567 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -59.04 -37.32 93.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.167 2.578 . . . . 0.0 110.609 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.2 tt -66.52 -43.24 90.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 92.1 mmm -73.4 -36.45 66.03 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.498 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.8 -33.53 72.49 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -71.65 -42.71 67.22 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.464 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -58.41 -53.63 56.09 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 124.436 1.085 . . . . 0.0 109.836 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' B' ' 50' ' ' ILE . 36.1 ttm180 -57.64 -56.17 25.31 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.665 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -53.61 -49.39 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.887 0.875 . . . . 0.0 111.709 -176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.77 -50.8 72.6 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.301 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -62.53 -33.12 74.27 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 77' ' ' LYS . 95.1 mt -61.52 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -65.85 -39.92 91.22 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.829 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.4 mm-40 -63.81 -41.22 97.93 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.669 0.606 . . . . 0.0 112.301 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 14.5 p -75.82 -38.49 58.08 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.333 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.86 -35.28 80.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 9.8 t -64.33 -52.03 60.45 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.221 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.449 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.6 pt20 -67.82 -31.77 71.86 Favored 'General case' 0 C--O 1.22 -0.498 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.328 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 tt -58.13 -58.12 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.062 0.945 . . . . 0.0 109.311 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -50.88 -41.89 58.63 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 125.604 1.562 . . . . 0.0 110.893 177.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 36.6 m -67.44 -56.21 10.53 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.517 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.09 -38.09 81.89 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 84' ' ' THR . 29.3 mm -67.16 -50.03 67.29 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -30.38 69.39 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 119.064 -1.054 . . . . 0.0 108.868 -177.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.621 ' HA ' ' CE ' ' B' ' 66' ' ' LYS . 65.3 m-20 -79.67 -24.95 41.45 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.29 27.26 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 119.649 -0.82 . . . . 0.0 112.296 -177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.421 ' N ' HD12 ' B' ' 65' ' ' LEU . 4.9 mp -97.27 -24.22 15.78 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.26 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.621 ' CE ' ' HA ' ' B' ' 63' ' ' ASP . 10.3 mmpt? 58.0 62.12 2.15 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.953 -1.022 . . . . 0.0 111.5 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -76.66 -78.25 0.13 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.839 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 71' ' ' ARG . 7.4 t0 176.94 150.74 0.16 Allowed 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 59.6 m -86.33 -18.57 31.59 Favored 'General case' 0 C--N 1.276 -2.596 0 O-C-N 123.469 0.481 . . . . 0.0 111.5 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -66.67 -52.24 47.06 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.16 0.505 . . . . 0.0 109.709 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.459 ' HG2' ' HB3' ' B' ' 68' ' ' ASP . 0.2 OUTLIER -65.56 -32.82 74.62 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 121.337 0.589 . . . . 0.0 110.366 178.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.0 -15.45 61.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.783 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -66.22 -17.71 64.9 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.765 0.793 . . . . 0.0 111.224 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.521 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.2 OUTLIER -142.62 73.6 1.41 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 114.522 -1.217 . . . . 0.0 108.595 174.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' B' ' 79' ' ' ASP . 4.2 tp -115.87 126.73 54.33 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -78.44 159.99 27.97 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' B' ' 77' ' ' LYS . 30.8 ttmt -54.47 -39.74 67.76 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.586 0.708 . . . . 0.0 110.799 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.78 71.85 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.496 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.441 ' HB2' ' HG ' ' B' ' 75' ' ' LEU . 64.8 m-20 -79.09 -44.05 22.88 Favored 'General case' 0 CA--C 1.484 -1.563 0 CA-C-O 121.801 0.81 . . . . 0.0 109.017 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.68 -49.06 83.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 CA-C-N 114.189 -1.369 . . . . 0.0 110.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.3 mp -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.828 0.346 . . . . 0.0 110.899 176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.7 tt0 -59.86 -38.65 82.73 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.225 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 33.8 tpp -70.59 -27.34 64.03 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.338 0.59 . . . . 0.0 109.914 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.516 ' HA ' ' CD1' ' B' ' 61' ' ' ILE . 21.6 m -70.78 -44.02 67.52 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.505 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.607 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 39.1 t -70.56 -39.22 75.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.314 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.3 mttt -69.45 -35.85 76.06 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 122.091 -0.381 . . . . 0.0 111.182 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -65.4 -31.87 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 21.9 tp -58.29 -47.35 83.92 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.993 175.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -59.54 -42.29 91.98 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 123.193 0.308 . . . . 0.0 110.817 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -59.83 -48.78 80.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.413 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.422 ' HB2' HD13 ' A' ' 91' ' ' LEU . 93.8 mt -72.4 -25.91 61.67 Favored 'General case' 0 C--O 1.207 -1.151 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.131 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -73.34 -31.38 63.94 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 120.857 0.361 . . . . 0.0 111.424 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.86 8.1 45.12 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.95 0.405 . . . . 0.0 110.696 178.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.15 -31.15 72.24 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.696 0.76 . . . . 0.0 109.448 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.407 -2.612 0 CA-C-N 114.755 -1.111 . . . . 0.0 108.418 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.9 mmm . . . . . 0 CA--C 1.508 -0.664 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -129.55 93.82 34.15 Favored Pre-proline 0 C--N 1.308 -1.205 0 C-N-CA 124.193 0.997 . . . . 0.0 108.524 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -65.12 117.01 4.17 Favored 'Trans proline' 0 C--O 1.242 0.716 0 C-N-CA 123.071 2.514 . . . . 0.0 112.356 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 12.85 29.03 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.689 0.756 . . . . 0.0 109.644 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p -75.44 14.14 0.65 Allowed 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 125.533 1.533 . . . . 0.0 113.042 -177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.16 -0.58 41.32 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.8 t 63.16 -172.57 0.16 Allowed 'General case' 0 C--O 1.246 0.908 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.254 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -92.03 99.34 12.18 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -64.99 -52.43 56.19 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.462 0.649 . . . . 0.0 110.018 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -118.58 115.48 24.64 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.166 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -97.9 80.82 2.78 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-O 122.188 0.994 . . . . 0.0 108.442 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.5 p -103.09 75.08 1.34 Allowed 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 114.06 -1.427 . . . . 0.0 110.4 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 m -147.89 -174.01 4.45 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 105.691 -1.966 . . . . 0.0 105.691 -178.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.7 mmpt? -104.32 117.82 58.32 Favored Pre-proline 0 N--CA 1.421 -1.893 0 C-N-CA 120.094 -0.643 . . . . 0.0 111.696 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -65.22 -31.9 52.79 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 123.366 2.71 . . . . 0.0 110.753 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 tt -73.44 -42.52 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.58 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.1 -42.31 94.13 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.25 -24.53 60.47 Favored 'General case' 0 C--O 1.214 -0.81 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.645 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -71.9 -44.96 62.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.26 -45.77 92.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.573 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 50' ' ' ILE . 37.2 ttm180 -57.27 -49.79 74.95 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.734 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 50' ' ' ILE . 51.0 ttt180 -55.31 -46.98 76.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.994 0.918 . . . . 0.0 111.194 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.54 85.61 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' HB3' ' HB1' ' B' ' 78' ' ' ALA . 0.5 OUTLIER -59.48 -38.71 81.55 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 122.883 0.473 . . . . 0.0 111.64 178.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.8 mt -60.03 -52.85 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 123.544 0.738 . . . . 0.0 109.732 176.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -62.6 -43.32 99.12 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.606 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.85 -43.23 99.36 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.713 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.7 p -73.56 -36.33 65.6 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 120.246 -0.582 . . . . 0.0 110.542 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 1.9 tt -68.72 -37.16 79.27 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.9 t -66.85 -52.44 43.59 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -62.59 -32.02 72.94 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.965 0.412 . . . . 0.0 110.178 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 7.9 tt -57.69 -58.54 7.88 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 123.992 0.917 . . . . 0.0 110.354 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.5 -28.39 69.63 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 178.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -68.91 -53.0 23.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.172 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.28 -38.43 75.06 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 HD11 HG23 ' A' ' 84' ' ' THR . 28.7 mm -59.57 -52.61 58.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 121.368 0.604 . . . . 0.0 111.413 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.29 -33.03 75.01 Favored 'General case' 0 C--O 1.204 -1.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.34 -176.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.638 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 15.5 t70 -77.38 -31.42 54.24 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.351 -177.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.82 64.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.525 HD11 ' CD2' ' A' ' 87' ' ' HIS . 4.6 mp -109.39 -21.41 12.52 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 118.803 -1.159 . . . . 0.0 111.55 -179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER 56.11 41.49 29.47 Favored 'General case' 0 CA--C 1.5 -0.951 0 C-N-CA 124.945 1.298 . . . . 0.0 109.845 -178.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 68.1 mttm -49.67 -73.46 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 113.355 -1.748 . . . . 0.0 112.642 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 14.1 t70 -172.0 140.05 1.18 Allowed 'General case' 0 CA--C 1.479 -1.777 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 m -87.86 -16.47 33.91 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 58.0 m -70.06 -40.16 75.23 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 122.108 -0.37 . . . . 0.0 110.173 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 72' ' ' HIS . 10.4 ptp180 -72.16 -39.03 69.01 Favored 'General case' 0 C--O 1.206 -1.184 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 55.9 t60 -50.77 -39.66 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.807 0.843 . . . . 0.0 111.811 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.2 p -91.12 18.2 7.15 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.409 0.623 . . . . 0.0 111.87 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -142.38 19.83 2.06 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 21.0 mt -76.44 123.18 25.61 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.327 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -87.24 150.6 23.8 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.525 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.7 ttmt -47.47 -45.63 26.26 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.29 74.84 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.648 178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -76.01 -40.49 53.47 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.914 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.448 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.3 mt -62.34 -47.52 92.67 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.052 0 CA-C-N 114.211 -1.358 . . . . 0.0 110.642 178.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 70.0 mt -59.62 -51.89 67.86 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.059 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 15.8 tt0 -58.63 -38.87 78.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.458 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.409 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 36.3 tpp -63.45 -35.47 80.55 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.979 0.895 . . . . 0.0 108.842 -174.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.474 HG23 HD11 ' A' ' 61' ' ' ILE . 18.4 m -75.48 -43.7 47.9 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.887 -179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.7 t -64.0 -46.2 94.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-O 121.033 0.444 . . . . 0.0 109.913 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 37.8 mttm -63.37 -32.96 74.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.341 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' HD11 ' A' ' 65' ' ' LEU . 11.6 t-160 -72.39 -29.64 63.94 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.213 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.1 pp -72.73 -29.03 63.01 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 7.4 mmm-85 -64.78 -45.47 86.19 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -59.68 -50.76 72.59 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' B' ' 91' ' ' LEU . 40.0 mt -61.55 -41.99 98.17 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.857 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -62.37 -27.78 69.31 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -4.13 26.28 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -14.57 62.42 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.457 0.646 . . . . 0.0 111.386 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.698 0 C-N-CA 124.494 1.117 . . . . 0.0 110.134 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.374 0.13 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -136.35 92.82 15.19 Favored Pre-proline 0 C--N 1.312 -1.031 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -81.79 -72.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.702 2.268 . . . . 0.0 113.418 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.459 ' HG2' ' H ' ' B' ' 31' ' ' ALA . 25.0 ttmm -167.96 159.37 11.3 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 20.8 m -77.92 -19.66 54.28 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.879 0.371 . . . . 0.0 110.781 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.459 ' H ' ' HG2' ' B' ' 29' ' ' LYS . . . 74.31 -44.63 0.57 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.482 1.513 . . . . 0.0 111.379 179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 27.2 p -86.3 87.65 7.47 Favored 'General case' 0 N--CA 1.414 -2.236 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -91.96 103.15 15.7 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.728 -175.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 69.52 -63.18 0.39 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.947 1.699 . . . . 0.0 112.532 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -126.52 116.47 21.14 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 120.911 0.386 . . . . 0.0 111.462 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -171.6 138.8 1.16 Allowed 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 106.948 -1.501 . . . . 0.0 106.948 175.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 76.1 p -83.14 150.75 26.07 Favored 'General case' 0 N--CA 1.411 -2.411 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.3 m -106.71 20.38 19.09 Favored 'General case' 0 C--N 1.281 -2.376 0 CA-C-O 121.88 0.848 . . . . 0.0 108.781 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.619 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 9.1 mmpt? -87.23 124.96 67.48 Favored Pre-proline 0 N--CA 1.421 -1.92 0 CA-C-N 114.451 -1.249 . . . . 0.0 110.14 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -63.37 -33.47 69.94 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.773 2.315 . . . . 0.0 110.555 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.57 -44.71 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.006 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.407 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 26.2 mmt -67.27 -41.67 85.11 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.39 -23.56 60.19 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 119.437 -0.905 . . . . 0.0 110.843 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -70.92 -43.33 68.47 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -59.77 -46.27 89.68 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.163 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.633 ' O ' HG13 ' B' ' 50' ' ' ILE . 21.9 ttm180 -57.03 -56.26 24.1 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 124.107 0.879 . . . . 0.0 109.427 174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' B' ' 50' ' ' ILE . 46.4 ttp180 -54.98 -46.78 75.13 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -60.46 -46.47 89.93 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -69.97 -26.96 64.34 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.208 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.4 mt -59.88 -50.89 78.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -63.18 -44.38 95.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.929 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 47.9 mt-10 -55.55 -47.74 75.87 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.236 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -74.76 -44.15 51.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.283 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.83 -41.1 99.19 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.765 0.426 . . . . 0.0 110.135 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.9 t -61.34 -53.64 54.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.183 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -68.43 -30.61 69.53 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.183 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -56.54 -58.04 9.75 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.79 -42.2 75.22 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.063 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -62.52 -57.58 10.68 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.178 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.83 -34.08 77.34 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.957 -177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.459 HD11 HD22 ' A' ' 88' ' ' LEU . 26.7 mm -64.71 -47.56 88.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.552 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.406 ' O ' HD13 ' B' ' 62' ' ' LEU . 1.0 OUTLIER -66.79 -26.97 67.21 Favored 'General case' 0 C--O 1.198 -1.612 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -177.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.469 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 29.3 t70 -82.71 -31.18 28.64 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-O 121.379 0.609 . . . . 0.0 112.265 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.6 -34.1 41.0 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.218 0.532 . . . . 0.0 110.508 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.5 mp -97.3 -38.14 9.78 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.726 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 30.8 mtmt 54.79 69.34 0.74 Allowed 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.986 0.898 . . . . 0.0 111.864 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -75.81 -73.09 0.28 Allowed 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.511 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.4 149.49 7.09 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 24.8 m -87.04 -15.46 38.55 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.721 0.638 . . . . 0.0 110.634 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -77.05 -43.11 35.69 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.481 0.658 . . . . 0.0 109.319 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.39 -10.92 60.05 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.825 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.68 ' HA ' HD23 ' B' ' 75' ' ' LEU . 76.9 t60 -65.87 -30.27 70.85 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.01 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.1 m -79.36 -4.32 50.39 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.651 0.739 . . . . 0.0 111.505 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -121.59 27.26 8.32 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.532 1.158 . . . . 0.0 108.484 -176.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.68 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -79.74 119.17 22.29 Favored 'General case' 0 N--CA 1.425 -1.689 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.976 174.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.96 151.62 19.42 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 176.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.499 ' HD2' HD13 ' A' ' 50' ' ' ILE . 33.8 ttmt -52.01 -45.7 64.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 118.75 0.705 . . . . 0.0 110.931 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -61.91 -30.5 70.93 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.639 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -79.79 -42.14 25.04 Favored 'General case' 0 C--O 1.198 -1.652 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 77' ' ' LYS . 75.3 mt -58.74 -53.26 49.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.516 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.522 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.9 mp -55.91 -52.54 63.74 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.497 178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 22.1 tt0 -61.02 -37.35 82.25 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.555 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.16 -32.63 74.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 121.588 0.708 . . . . 0.0 109.209 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.402 ' OG1' HG13 ' B' ' 61' ' ' ILE . 24.6 m -74.99 -43.72 52.3 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.993 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 81' ' ' LEU . 59.5 t -66.66 -41.76 88.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.37 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 79.3 mttt -65.39 -32.05 73.48 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.507 ' CE1' HD11 ' B' ' 91' ' ' LEU . 11.8 t-80 -66.21 -34.52 78.22 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.079 174.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -61.27 -43.99 97.97 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' B' ' 86' ' ' LYS . 14.7 mmm-85 -64.39 -43.98 92.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.064 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 80.1 m-20 -58.37 -50.32 74.1 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.399 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' B' ' 87' ' ' HIS . 94.7 mt -63.9 -42.77 97.37 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.967 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -69.66 -12.21 61.45 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -105.22 1.31 28.07 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.442 0.639 . . . . 0.0 110.996 -178.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.64 11.91 25.02 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.45 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 C--O 1.25 1.108 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 -178.248 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 CA--C 1.504 -0.806 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -97.22 125.98 43.67 Favored Pre-proline 0 C--N 1.311 -1.102 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -40.95 -64.69 0.22 Allowed 'Trans proline' 0 C--N 1.364 1.366 0 C-N-CA 124.461 3.441 . . . . 0.0 114.743 -172.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -117.01 137.97 51.88 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' B' ' 28' ' ' PRO . 62.9 m -123.13 83.14 2.08 Favored 'General case' 0 N--CA 1.411 -2.407 0 CA-C-O 121.573 0.701 . . . . 0.0 110.507 176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.63 118.03 21.09 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 m -51.55 114.74 1.33 Allowed 'General case' 0 C--N 1.311 -1.101 0 O-C-N 124.305 1.003 . . . . 0.0 111.01 -176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -74.18 95.66 2.63 Favored 'General case' 0 N--CA 1.422 -1.845 0 CA-C-O 121.913 0.863 . . . . 0.0 109.794 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -85.64 -30.26 23.38 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-N 114.539 -1.209 . . . . 0.0 108.506 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 62.57 -68.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.351 1.46 . . . . 0.0 113.54 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -115.51 113.41 23.62 Favored 'General case' 0 N--CA 1.421 -1.912 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.2 m -141.15 -33.98 0.51 Allowed 'General case' 0 C--N 1.276 -2.594 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.31 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 p -141.76 163.38 33.06 Favored 'General case' 0 N--CA 1.405 -2.709 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HE2' ' HD2' ' A' ' 40' ' ' PRO . 7.4 mmpt? -78.94 136.53 58.05 Favored Pre-proline 0 C--N 1.284 -2.242 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.505 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.488 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 27.9 Cg_endo -62.76 -34.58 72.56 Favored 'Trans proline' 0 CA--C 1.505 -0.925 0 C-N-CA 122.942 2.428 . . . . 0.0 110.418 -177.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.46 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 10.6 tt -72.87 -43.9 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.029 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.616 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.8 mmt -63.44 -44.34 94.82 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-O 120.875 0.369 . . . . 0.0 111.895 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.74 -24.44 58.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 27.4 ttpp -69.92 -42.75 72.9 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 177.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 79.8 mtp180 -57.5 -43.63 84.36 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.531 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -63.59 -52.01 62.82 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.574 177.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' HA ' HD12 ' A' ' 50' ' ' ILE . 53.3 ttt180 -54.01 -45.84 71.61 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 123.568 0.747 . . . . 0.0 111.107 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.67 -49.1 78.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.981 177.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ARG . 38.3 mtm180 -61.61 -35.93 79.26 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 123.282 0.364 . . . . 0.0 111.395 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.5 mt -57.98 -52.38 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -63.13 -41.65 99.35 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.524 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 34.5 mm-40 -59.45 -41.97 90.88 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 123.439 0.462 . . . . 0.0 111.874 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 18.1 m -76.48 -41.91 45.49 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 3.1 tt -64.29 -42.39 96.41 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.581 0.752 . . . . 0.0 110.073 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.0 m -68.53 -42.17 78.87 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.055 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.35 -31.18 65.4 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.83 -0.544 . . . . 0.0 110.175 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 2.0 tm? -53.57 -58.72 6.17 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.856 1.662 . . . . 0.0 108.067 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -55.4 -50.28 70.16 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.267 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.4 m -56.57 -58.09 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.302 -175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.51 -32.8 74.6 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.54 HD11 HG23 ' A' ' 84' ' ' THR . 45.8 mm -69.44 -49.71 57.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -66.9 -29.61 69.54 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 20.4 t70 -78.63 -39.13 38.01 Favored 'General case' 0 C--O 1.205 -1.272 0 C-N-CA 123.913 0.885 . . . . 0.0 112.549 -178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.56 -37.46 59.95 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.115 0.483 . . . . 0.0 110.794 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 87' ' ' HIS . 6.0 mp -94.2 -28.15 15.8 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 119.525 -0.87 . . . . 0.0 110.708 -177.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 63' ' ' ASP . 27.3 mtmt 52.39 58.37 5.47 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-O 123.052 1.406 . . . . 0.0 109.049 -176.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.536 ' HE2' ' SD ' ' A' ' 83' ' ' MET . 30.0 mmmt -51.23 -70.44 0.09 Allowed 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 110.783 -2.917 . . . . 0.0 111.209 -175.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 34.2 t70 178.5 147.5 0.17 Allowed 'General case' 0 CA--C 1.467 -2.225 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 -176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.2 m -87.21 -20.56 26.77 Favored 'General case' 0 N--CA 1.399 -2.992 0 O-C-N 123.611 0.569 . . . . 0.0 111.852 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 70.4 m -78.41 -37.7 43.25 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.283 0.564 . . . . 0.0 110.885 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' CG ' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -82.23 -6.58 59.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.492 0.663 . . . . 0.0 110.315 176.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 62' ' ' LEU . 25.1 t-80 -90.22 170.36 10.35 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m 76.15 -54.25 0.6 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.939 1.295 . . . . 0.0 111.924 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 38.81 1.28 Allowed 'General case' 0 C--N 1.268 -2.959 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.662 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 13.2 tp -94.26 110.8 22.52 Favored 'General case' 0 N--CA 1.406 -2.657 0 CA-C-N 112.967 -1.924 . . . . 0.0 106.23 178.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.64 149.6 41.89 Favored 'General case' 0 C--N 1.293 -1.859 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.918 -175.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' HD13 ' A' ' 81' ' ' LEU . 28.2 ttmt -48.57 -44.92 37.13 Favored 'General case' 0 C--N 1.313 -0.983 0 C-N-CA 123.843 0.857 . . . . 0.0 112.746 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.97 72.0 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.903 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.24 -36.52 39.82 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 -173.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.662 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 95.5 mt -60.52 -54.59 32.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 114.026 -1.443 . . . . 0.0 111.036 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 77' ' ' LYS . 9.0 mp -55.15 -52.88 61.87 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.901 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.676 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 4.0 pt-20 -71.48 -23.8 61.88 Favored 'General case' 0 C--O 1.189 -2.114 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -175.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.536 ' SD ' ' HE2' ' A' ' 67' ' ' LYS . 38.6 tpp -64.51 -42.91 95.51 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 121.664 0.745 . . . . 0.0 109.052 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.571 HG21 ' CD2' ' A' ' 57' ' ' LEU . 6.2 m -60.63 -44.09 96.76 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 114.251 -1.34 . . . . 0.0 109.523 176.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 87.4 t -61.35 -41.7 90.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.434 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.676 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 52.4 mttm -65.33 -42.89 92.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.476 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.508 ' CD2' HD21 ' B' ' 88' ' ' LEU . 27.2 t60 -66.77 -26.95 67.21 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.511 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 13.8 tp -63.46 -43.14 98.23 Favored 'General case' 0 N--CA 1.435 -1.187 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 176.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.563 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 11.2 mmm-85 -65.54 -43.51 89.72 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.111 -178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -55.82 -55.14 36.0 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.071 0.857 . . . . 0.0 111.022 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.99 -35.43 80.67 Favored 'General case' 0 C--O 1.205 -1.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.382 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -67.41 -23.5 65.56 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 8.4 ppt_? -111.9 16.12 20.49 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.273 0.558 . . . . 0.0 111.419 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.9 -1.54 25.94 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.598 0.714 . . . . 0.0 110.441 178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.424 -1.736 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . 0.489 ' HG2' ' H ' ' B' ' 27' ' ' LYS . 21.9 ttp . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.489 ' H ' ' HG2' ' B' ' 26' ' ' MET . 83.2 tttt -48.98 -48.66 71.83 Favored Pre-proline 0 CA--C 1.553 1.072 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.0 Cg_exo -69.74 77.47 1.06 Allowed 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 121.401 1.401 . . . . 0.0 109.984 171.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -87.39 -51.67 5.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 114.521 -1.218 . . . . 0.0 109.192 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.8 m -84.49 73.16 10.56 Favored 'General case' 0 N--CA 1.429 -1.515 0 CA-C-O 122.206 1.003 . . . . 0.0 108.812 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.15 21.51 2.8 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.442 -1.253 . . . . 0.0 107.763 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -83.84 80.25 9.21 Favored 'General case' 0 N--CA 1.419 -1.993 0 CA-C-N 114.722 -1.126 . . . . 0.0 110.182 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -134.6 131.91 38.4 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 173.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -109.63 -167.19 1.17 Allowed 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -54.15 111.74 0.83 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -94.56 132.5 39.18 Favored 'General case' 0 N--CA 1.397 -3.078 0 CA-C-O 121.716 0.769 . . . . 0.0 112.322 -166.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.4 m -164.56 19.24 0.06 Allowed 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 113.151 -1.841 . . . . 0.0 109.648 -176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m -158.54 167.42 29.65 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.45 148.65 47.32 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' B' ' 44' ' ' LYS . 8.6 Cg_endo -52.49 -48.14 23.42 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.84 2.36 . . . . 0.0 111.752 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 8.6 tt -64.26 -44.88 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.018 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.87 -41.37 82.96 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.1 -24.37 58.07 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -176.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' B' ' 40' ' ' PRO . 50.2 mtmt -72.22 -41.8 66.47 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 76.8 mtp180 -59.08 -48.93 79.81 Favored 'General case' 0 C--O 1.249 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 177.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.499 ' O ' HG13 ' B' ' 50' ' ' ILE . 33.3 ttm180 -60.3 -55.04 38.56 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.101 178.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 47' ' ' ARG . 15.9 ttt180 -51.79 -47.78 64.08 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 123.61 0.764 . . . . 0.0 110.498 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.83 -52.76 63.83 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.905 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -64.28 -31.33 72.48 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 123.144 0.277 . . . . 0.0 110.985 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.499 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.2 mt -61.49 -49.45 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.31 0.576 . . . . 0.0 109.507 174.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -66.2 -39.03 89.37 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.274 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 43.7 mm-40 -58.46 -44.19 89.15 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 123.565 0.54 . . . . 0.0 111.099 177.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 11.3 p -76.04 -43.29 44.63 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 119.692 -0.194 . . . . 0.0 111.404 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.31 -42.71 96.12 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.564 0.697 . . . . 0.0 109.487 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.5 m -65.73 -48.11 73.06 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.786 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.32 -29.65 66.43 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.481 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -55.83 -58.41 7.96 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 124.071 0.948 . . . . 0.0 110.69 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' B' ' 80' ' ' ILE . 59.5 pttt -63.1 -36.26 83.0 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 88.3 m -59.17 -57.17 14.23 Favored 'General case' 0 N--CA 1.443 -0.816 0 O-C-N 123.899 0.749 . . . . 0.0 110.65 -178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.22 -36.35 74.49 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.8 mm -63.09 -49.56 82.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-O 121.451 0.643 . . . . 0.0 110.562 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.422 ' HG ' ' CD2' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.99 -34.91 78.77 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.534 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.3 t70 -77.41 -25.67 50.96 Favored 'General case' 0 C--O 1.199 -1.574 0 C-N-CA 123.289 0.636 . . . . 0.0 111.798 -176.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.29 -36.66 63.78 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.964 0.411 . . . . 0.0 110.232 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.584 HD11 ' CD2' ' B' ' 87' ' ' HIS . 5.7 mp -96.18 -32.21 12.59 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 118.673 -1.211 . . . . 0.0 110.759 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 24.5 mtmt 55.89 58.42 4.44 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-O 122.618 1.199 . . . . 0.0 109.751 -175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -63.59 -69.68 0.26 Allowed 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 112.347 -2.206 . . . . 0.0 111.189 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' B' ' 70' ' ' SER . 13.7 t70 179.98 147.25 0.26 Allowed 'General case' 0 CA--C 1.47 -2.1 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -174.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -86.77 -23.95 25.25 Favored 'General case' 0 N--CA 1.399 -3.011 0 C-N-CA 120.156 -0.617 . . . . 0.0 111.98 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . 0.524 ' HB2' ' OD2' ' B' ' 68' ' ' ASP . 35.2 m -69.11 -43.28 74.79 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.173 0.511 . . . . 0.0 109.721 179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.53 HH12 HD21 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -76.23 -9.55 58.72 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.067 176.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.422 ' CD2' ' HG ' ' B' ' 62' ' ' LEU . 35.2 t-80 -86.97 -22.76 25.38 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 39.0 m -90.03 6.43 42.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.633 0.73 . . . . 0.0 110.982 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.52 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -141.19 74.4 1.46 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.433 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.53 HD21 HH12 ' B' ' 71' ' ' ARG . 28.5 mt -135.12 124.6 24.94 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 114.375 -1.284 . . . . 0.0 111.565 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -88.28 157.97 18.6 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.478 ' O ' HD13 ' B' ' 81' ' ' LEU . 31.9 ttmt -50.84 -46.09 59.96 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 123.128 0.571 . . . . 0.0 112.175 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.28 -32.87 71.6 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.84 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -75.96 -39.96 54.93 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.143 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.479 HG23 ' HB3' ' B' ' 58' ' ' LYS . 80.7 mt -61.13 -48.16 90.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.087 176.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 77' ' ' LYS . 7.0 mp -58.46 -51.31 70.39 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.647 177.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.4 tt0 -62.79 -38.25 89.92 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.824 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.8 ttp -61.39 -37.29 82.89 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.505 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 27.3 m -67.13 -49.87 63.34 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.689 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.0 t -60.53 -46.45 95.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 121.144 0.497 . . . . 0.0 110.677 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.642 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.9 mtmt -64.31 -37.88 89.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.128 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.584 ' CD2' HD11 ' B' ' 65' ' ' LEU . 11.8 t-160 -67.4 -29.58 69.12 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.167 0.508 . . . . 0.0 110.307 178.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 87' ' ' HIS . 1.1 tm? -67.34 -35.65 79.83 Favored 'General case' 0 N--CA 1.418 -2.038 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -68.79 -35.19 76.72 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.647 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . 0.476 ' O ' ' HD3' ' B' ' 93' ' ' ARG . 59.2 m-20 -62.04 -46.64 88.29 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-O 121.898 0.856 . . . . 0.0 109.158 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.519 ' HA ' HE22 ' B' ' 95' ' ' GLN . 94.4 mt -66.16 -39.74 90.02 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.877 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -69.91 -17.22 63.32 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -96.48 -23.39 16.59 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 116.27 -2.172 . . . . 0.0 109.973 179.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.538 ' HB3' HE21 ' B' ' 95' ' ' GLN . . . -95.48 -17.66 21.3 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -178.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.538 HE21 ' HB3' ' B' ' 94' ' ' ALA . 1.1 mt-30 . . . . . 0 C--N 1.309 -1.194 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.465 0.174 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -113.03 108.16 53.49 Favored Pre-proline 0 C--O 1.241 0.649 0 O-C-N 122.309 -0.244 . . . . 0.0 110.789 176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -83.36 164.7 14.66 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.152 1.901 . . . . 0.0 109.367 174.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.0 122.97 16.29 Favored 'General case' 0 CA--C 1.508 -0.65 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 46.6 m -106.25 88.12 2.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -147.74 -60.45 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 m -104.79 -162.21 0.87 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.847 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -54.69 117.82 3.69 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.388 0.675 . . . . 0.0 112.287 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -153.67 9.14 0.39 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.674 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -121.45 -47.01 2.25 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.21 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? 67.48 86.41 0.13 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.533 1.158 . . . . 0.0 111.183 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 t -138.09 92.32 2.65 Favored 'General case' 0 C--N 1.276 -2.622 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.2 m -114.6 -2.57 13.07 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 7.6 mmpt? -104.7 115.5 62.56 Favored Pre-proline 0 N--CA 1.432 -1.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.67 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 18.9 Cg_endo -61.86 -33.8 83.63 Favored 'Trans proline' 0 C--O 1.221 -0.342 0 C-N-CA 123.261 2.64 . . . . 0.0 111.366 -177.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.481 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 12.2 tt -70.25 -47.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.704 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.2 mmm -62.3 -43.48 98.73 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.482 -177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.2 pt-20 -74.0 -24.94 59.65 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.406 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -75.62 -37.25 59.89 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.345 0.593 . . . . 0.0 109.574 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 60.7 mtp180 -69.23 -44.77 71.33 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.304 177.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.1 ttm180 -58.99 -47.22 85.97 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.272 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -51.83 -48.1 64.08 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 124.185 0.994 . . . . 0.0 111.382 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -57.64 -48.28 79.91 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -61.61 -43.37 98.98 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 123.691 0.62 . . . . 0.0 111.075 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 46' ' ' ARG . 88.4 mt -54.99 -52.68 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 121.156 0.503 . . . . 0.0 110.422 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -62.33 -44.1 97.28 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 37.8 mm-40 -64.63 -37.4 87.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.0 p -77.26 -34.96 55.67 Favored 'General case' 0 N--CA 1.427 -1.605 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.272 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -73.52 -37.2 65.71 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 121.614 0.721 . . . . 0.0 109.403 -177.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -70.65 -41.43 72.13 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.597 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.36 -31.56 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 9.3 tt -56.52 -58.25 8.83 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.601 1.16 . . . . 0.0 110.233 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -60.75 -36.92 80.13 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.145 0.278 . . . . 0.0 110.982 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.1 m -64.0 -51.96 61.77 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.278 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.16 -27.74 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.416 HD11 HG23 ' A' ' 84' ' ' THR . 24.4 mm -69.78 -55.53 14.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 CA-C-O 121.207 0.527 . . . . 0.0 109.935 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.22 -31.35 67.28 Favored 'General case' 0 C--O 1.208 -1.119 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.771 ' O ' ' HE3' ' A' ' 66' ' ' LYS . 11.8 t70 -81.66 -27.71 33.92 Favored 'General case' 0 C--O 1.203 -1.378 0 C-N-CA 123.425 0.69 . . . . 0.0 111.67 -179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.85 61.49 Favored 'General case' 0 C--N 1.29 -2.0 0 O-C-N 121.438 -0.789 . . . . 0.0 111.569 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 65' ' ' LEU . 1.7 mp -115.98 -37.97 3.75 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 119.094 -1.042 . . . . 0.0 110.91 -179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.771 ' HE3' ' O ' ' A' ' 63' ' ' ASP 0.315 92.0 mttt 69.43 75.61 0.23 Allowed 'General case' 0 CA--C 1.468 -2.2 0 CA-C-O 123.667 1.699 . . . . 0.0 112.154 -176.057 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -77.21 -71.03 0.43 Allowed 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 110.931 -2.85 . . . . 0.0 109.657 -175.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.549 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 38.5 t70 -173.45 126.84 0.42 Allowed 'General case' 0 CA--C 1.467 -2.217 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 72' ' ' HIS . 30.7 p -84.34 -15.4 46.62 Favored 'General case' 0 N--CA 1.4 -2.958 0 C-N-CA 120.025 -0.67 . . . . 0.0 112.175 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.549 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 44.9 m -71.75 -43.52 65.65 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 176.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.516 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -75.38 -12.53 60.27 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 120.807 0.337 . . . . 0.0 110.458 176.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.831 ' HA ' HD23 ' A' ' 75' ' ' LEU . 40.8 t-80 -65.76 -27.71 68.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 0.0 109.528 172.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.3 m -82.47 -0.36 46.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.892 0.853 . . . . 0.0 110.349 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.67 19.51 6.16 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -81.67 119.33 23.69 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.665 -178.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' HG13 ' A' ' 80' ' ' ILE . 80.4 mt-10 -97.37 152.43 18.93 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' O ' HD13 ' A' ' 81' ' ' LEU . 25.0 ttpt -47.84 -46.92 31.51 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -176.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.2 73.65 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.131 0.491 . . . . 0.0 112.007 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -75.38 -39.22 59.41 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 -173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.531 HG13 HD12 ' A' ' 75' ' ' LEU . 70.0 mt -66.01 -51.45 60.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.196 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 mp -53.53 -53.39 52.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.896 -178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 19.1 tt0 -63.51 -35.51 80.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 46.2 ttm -65.11 -37.66 88.2 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.737 0.779 . . . . 0.0 109.339 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.416 HG23 HD11 ' A' ' 61' ' ' ILE . 25.3 m -71.92 -43.11 65.85 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.464 -179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 81' ' ' LEU . 40.7 t -64.04 -45.96 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 72.2 mttt -65.72 -36.4 83.51 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.495 -178.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -70.44 -26.34 63.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 176.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.25 -34.44 74.79 Favored 'General case' 0 N--CA 1.436 -1.157 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 22.7 mmm180 -67.46 -38.16 84.04 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.66 -51.55 69.46 Favored 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.291 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.623 HD23 HE22 ' A' ' 95' ' ' GLN . 65.4 mt -66.03 -32.88 74.61 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.447 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 11.8 mm-40 -72.97 -11.84 60.72 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -2.4 12.44 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.568 ' HA ' HE21 ' A' ' 95' ' ' GLN . . . 61.83 29.14 17.84 Favored 'General case' 0 N--CA 1.421 -1.898 0 C-N-CA 125.842 1.657 . . . . 0.0 111.279 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.623 HE22 HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.272 0 CA-C-N 111.877 -2.42 . . . . 0.0 113.376 171.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' H ' ' B' ' 29' ' ' LYS . 88.5 tttt -144.51 139.91 16.06 Favored Pre-proline 0 N--CA 1.434 -1.241 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -175.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -62.01 -32.97 84.26 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.481 2.12 . . . . 0.0 110.475 176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' B' ' 27' ' ' LYS . 29.2 mtpp 75.28 166.15 0.28 Allowed 'General case' 0 C--O 1.246 0.886 0 C-N-CA 125.386 1.474 . . . . 0.0 111.012 177.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.3 m -55.11 -43.8 74.39 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.45 134.46 22.62 Favored 'General case' 0 N--CA 1.413 -2.296 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 176.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -85.49 123.23 30.68 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.489 ' HA ' ' CE ' ' B' ' 36' ' ' LYS . 14.6 mm-40 -77.57 -47.86 18.39 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 10.3 t60 64.95 -75.21 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.002 1.321 . . . . 0.0 111.082 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -141.09 -36.62 0.45 Allowed 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' B' ' 33' ' ' GLU . 12.9 tppt? 64.72 108.91 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 126.217 1.807 . . . . 0.0 112.698 172.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.2 p -78.64 -34.73 46.24 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-O 121.726 0.774 . . . . 0.0 110.742 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.4 p -174.62 168.22 3.75 Favored 'General case' 0 N--CA 1.409 -2.504 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 -176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 8.3 mmpt? -72.91 128.78 87.52 Favored Pre-proline 0 C--N 1.285 -2.218 0 CA-C-N 118.083 0.402 . . . . 0.0 110.286 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -59.36 -34.26 97.65 Favored 'Trans proline' 0 CA--C 1.51 -0.71 0 C-N-CA 123.223 2.615 . . . . 0.0 110.875 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 tt -71.98 -46.01 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.347 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -41.89 94.13 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.62 0.248 . . . . 0.0 111.554 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.3 pt-20 -75.77 -24.71 56.05 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.828 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -74.77 -42.43 58.17 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -60.65 -43.83 97.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.853 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.474 ' O ' HG13 ' B' ' 50' ' ' ILE . 39.5 ttm180 -61.54 -50.44 72.68 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.778 175.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.477 ' HA ' HD12 ' B' ' 50' ' ' ILE . 73.4 ttt180 -55.63 -48.48 74.88 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.411 0.685 . . . . 0.0 111.576 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -59.03 -48.55 81.19 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 122.974 0.509 . . . . 0.0 110.052 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -37.31 83.22 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.381 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.493 HD13 ' HE3' ' A' ' 77' ' ' LYS . 96.7 mt -57.96 -53.2 48.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 123.106 0.563 . . . . 0.0 109.877 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -56.81 -47.35 80.46 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.672 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 65.5 mm-40 -58.24 -41.21 83.67 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.247 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.6 m -76.08 -37.81 57.77 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.754 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.6 tt -72.69 -37.45 67.87 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.74 -42.98 97.77 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.347 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.04 -34.78 71.59 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.092 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.2 tt -55.3 -58.25 8.49 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.537 1.135 . . . . 0.0 109.154 176.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -47.97 -46.22 32.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 125.446 1.499 . . . . 0.0 111.407 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 56.3 m -70.85 -50.29 36.89 Favored 'General case' 0 N--CA 1.422 -1.839 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.279 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.4 mt -69.42 -30.55 68.53 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.121 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' B' ' 61' ' ' ILE . 20.1 mm -66.46 -48.24 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.673 175.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -38.38 79.82 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.757 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 42.6 m-20 -77.7 -24.39 49.26 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.03 -27.89 61.16 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 120.913 -1.117 . . . . 0.0 111.487 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 65' ' ' LEU . 3.3 mp -110.09 -30.11 7.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.07 -177.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.757 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 66.9 mmtt 64.11 69.57 0.53 Allowed 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 122.186 0.994 . . . . 0.0 110.718 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -84.89 -83.88 0.16 Allowed 'General case' 0 C--N 1.302 -1.499 0 CA-C-N 114.019 -1.446 . . . . 0.0 110.33 177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.512 ' HB2' ' HG3' ' B' ' 71' ' ' ARG . 3.3 m-20 -157.66 143.0 17.03 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.074 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.5 p -86.73 -21.04 26.84 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.362 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 33.5 t -74.81 -45.0 46.41 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.867 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.512 ' HG3' ' HB2' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -84.76 -2.64 57.92 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 120.4 -0.52 . . . . 0.0 111.809 -178.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.515 ' HA ' HD12 ' B' ' 75' ' ' LEU . 3.2 t-160 -55.96 -42.64 76.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 173.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.4 p -91.99 9.02 34.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.458 0.647 . . . . 0.0 112.176 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.0 OUTLIER -113.96 9.56 17.44 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 123.393 1.568 . . . . 0.0 108.31 177.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' B' ' 72' ' ' HIS . 3.2 mt -89.78 119.96 30.62 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.537 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -80.95 158.58 25.18 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.569 -1.196 . . . . 0.0 108.04 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.482 ' O ' HD13 ' B' ' 81' ' ' LEU . 19.5 ttmm -49.84 -52.6 31.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 123.204 0.602 . . . . 0.0 112.249 -176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.04 -30.19 64.03 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.114 -0.948 . . . . 0.0 112.227 -179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -79.06 -44.48 22.07 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.931 -176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.4 -50.51 80.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.227 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.492 ' O ' HG23 ' B' ' 85' ' ' VAL . 8.3 mp -52.86 -53.0 55.25 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.548 0.53 . . . . 0.0 110.719 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 12.7 tt0 -65.1 -34.49 78.53 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 40.7 tpp -68.31 -35.64 78.11 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 24.3 m -66.85 -45.41 78.26 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.858 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 81' ' ' LEU . 43.9 t -66.79 -43.08 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.193 0.52 . . . . 0.0 110.007 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 63.6 mttt -68.81 -31.82 71.08 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -71.32 -27.7 63.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.78 0.324 . . . . 0.0 110.132 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.472 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 3.7 tt -63.29 -42.41 99.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.434 HH11 HD22 ' B' ' 88' ' ' LEU . 18.2 mmm180 -65.22 -42.58 93.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.165 -178.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -57.77 -49.17 77.47 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.762 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.14 -48.12 81.51 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.278 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -61.56 -16.41 47.67 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -107.46 0.07 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.616 0.722 . . . . 0.0 111.227 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.78 10.03 38.71 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.435 -1.188 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.05 -177.423 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 120.78 0.324 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -125.99 156.02 72.36 Favored Pre-proline 0 C--N 1.312 -1.026 0 O-C-N 121.977 -0.452 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -64.09 -29.24 65.58 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.372 2.048 . . . . 0.0 109.377 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt 66.35 -82.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.08 1.352 . . . . 0.0 112.074 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.1 m -154.72 122.0 5.64 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.97 77.5 10.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.799 0.809 . . . . 0.0 109.424 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 m -160.23 174.8 13.69 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.11 123.73 27.21 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -76.87 77.64 3.46 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -175.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' NE ' ' HA ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -97.7 -47.42 5.61 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.263 -2.125 . . . . 0.0 105.263 170.416 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -171.83 161.8 5.97 Favored 'General case' 0 N--CA 1.428 -1.556 0 N-CA-C 104.121 -2.548 . . . . 0.0 104.121 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t -123.19 18.34 9.92 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.993 0.901 . . . . 0.0 109.975 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -167.22 -178.11 3.96 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -89.19 122.73 68.44 Favored Pre-proline 0 N--CA 1.415 -2.216 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.952 176.48 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.53 -36.44 97.37 Favored 'Trans proline' 0 C--O 1.215 -0.663 0 C-N-CA 123.055 2.503 . . . . 0.0 111.629 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.6 tt -71.96 -43.1 68.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.219 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.4 mmm -67.62 -43.94 79.2 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.997 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.38 -23.56 59.01 Favored 'General case' 0 C--O 1.197 -1.7 0 C-N-CA 119.891 -0.724 . . . . 0.0 110.975 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -75.48 -41.28 55.89 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -63.31 -43.52 97.59 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.36 175.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' ILE . 41.6 ttm180 -62.63 -48.39 79.6 Favored 'General case' 0 C--O 1.197 -1.699 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.143 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HA ' HD12 ' A' ' 50' ' ' ILE . 39.1 ttm180 -57.58 -43.55 84.68 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 124.554 1.142 . . . . 0.0 111.505 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -58.42 -49.8 75.96 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 176.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -62.97 -36.22 82.76 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.684 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 46' ' ' ARG . 89.8 mt -57.37 -53.66 41.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 C-N-CA 123.158 0.583 . . . . 0.0 109.648 175.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -60.04 -48.36 82.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.723 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 10.5 mm-40 -60.43 -40.69 91.98 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 123.664 0.602 . . . . 0.0 112.143 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.0 t -77.05 -39.04 51.39 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 121.953 -0.467 . . . . 0.0 110.786 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.5 tt -65.4 -44.23 88.14 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.4 m -62.62 -44.57 95.95 Favored 'General case' 0 N--CA 1.435 -1.225 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.53 -25.95 60.64 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.589 -0.844 . . . . 0.0 110.627 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.72 -56.31 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.969 0.507 . . . . 0.0 109.814 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -57.61 -37.17 72.83 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.206 0.316 . . . . 0.0 111.06 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.1 m -60.68 -51.68 68.32 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.945 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -70.54 -40.37 73.47 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.7 mm -60.64 -48.04 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.215 0.531 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 72' ' ' HIS . 3.9 mm? -71.08 -19.95 62.41 Favored 'General case' 0 C--O 1.192 -1.956 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.522 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 8.3 t70 -82.51 -29.94 30.14 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-O 121.74 0.781 . . . . 0.0 109.267 176.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.27 -35.55 58.86 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.888 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' ND1' ' A' ' 87' ' ' HIS . 5.1 mp -108.57 -34.93 6.59 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.199 -1.001 . . . . 0.0 112.831 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 34.8 mtmt 54.45 46.85 24.12 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.691 0.758 . . . . 0.0 112.19 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -64.28 -62.3 1.7 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.412 -1.267 . . . . 0.0 110.283 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 10.1 m-20 -151.5 139.13 19.67 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.433 -177.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 p -79.41 -31.87 42.81 Favored 'General case' 0 C--N 1.283 -2.294 0 O-C-N 124.001 0.813 . . . . 0.0 109.595 176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -66.18 -37.69 86.23 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.059 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 68' ' ' ASP . 15.2 ptp180 -69.5 -42.6 74.53 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 24.1 t-80 -55.69 -40.66 72.65 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.724 1.21 . . . . 0.0 111.401 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -79.83 1.44 26.93 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 44.11 0.57 Allowed 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 123.071 1.415 . . . . 0.0 108.617 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.552 ' HB3' ' CG1' ' A' ' 80' ' ' ILE . 12.4 mt -81.01 118.86 22.84 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.844 -1.526 . . . . 0.0 110.523 177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.38 155.03 20.76 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.665 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 20.1 ttmm -44.36 -54.93 5.37 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -54.83 -33.61 61.87 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 124.35 1.06 . . . . 0.0 112.464 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -79.79 -34.82 39.35 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.994 -172.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.552 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 62.7 mt -72.95 -50.61 31.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.238 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 47.7 mt -54.73 -48.85 72.05 Favored 'General case' 0 CA--C 1.507 -0.689 0 O-C-N 123.989 0.806 . . . . 0.0 109.335 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' A' ' 86' ' ' LYS . 28.0 tt0 -57.38 -49.0 77.59 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.423 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.5 tpp -53.65 -40.26 65.72 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 124.81 1.244 . . . . 0.0 110.863 -174.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -46.43 78.61 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.482 0.313 . . . . 0.0 110.752 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.727 HG22 HD23 ' B' ' 57' ' ' LEU . 24.9 t -58.07 -44.11 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-O 122.625 1.203 . . . . 0.0 108.613 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' A' ' 82' ' ' GLU . 12.5 mmtp -65.92 -37.24 85.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.229 -1.351 . . . . 0.0 110.932 -177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.518 ' ND1' HD11 ' A' ' 65' ' ' LEU . 75.6 t60 -73.14 -27.9 61.94 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.156 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.9 tm? -57.94 -50.99 71.5 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 175.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.492 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.9 mpt_? -58.99 -45.27 91.04 Favored 'General case' 0 C--O 1.217 -0.61 0 O-C-N 123.318 0.386 . . . . 0.0 110.725 177.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -55.41 -52.12 64.62 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 123.698 0.624 . . . . 0.0 111.512 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.1 mt -71.63 -17.71 62.25 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -86.42 -21.67 26.99 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.174 0.511 . . . . 0.0 112.056 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.5 ppt_? -110.7 9.62 22.8 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 121.237 0.541 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.53 -11.9 60.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.462 0.649 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 21.2 ptp . . . . . 0 C--O 1.24 0.595 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.464 ' HB3' ' HD3' ' B' ' 28' ' ' PRO . 40.1 ttmt -99.72 -50.1 0.2 Allowed Pre-proline 0 C--N 1.304 -1.384 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 172.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' B' ' 27' ' ' LYS . 24.3 Cg_exo -68.79 153.78 72.36 Favored 'Trans proline' 0 C--N 1.387 2.585 0 N-CA-C 107.817 -1.647 . . . . 0.0 107.817 167.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' B' ' 29' ' ' LYS . 3.4 mptp? -94.42 -35.26 12.42 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 120.304 -0.558 . . . . 0.0 111.378 -173.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -132.43 116.23 16.54 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.694 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.97 152.78 13.61 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -84.92 78.78 9.83 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 121.26 0.553 . . . . 0.0 110.814 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . 0.486 0.0 OUTLIER 44.09 -78.92 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.47 2.767 . . . . 0.0 118.47 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -116.83 -3.52 11.67 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 118.712 0.687 . . . . 0.0 111.854 -176.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -121.65 118.17 28.49 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.379 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -165.85 116.21 1.03 Allowed 'General case' 0 C--O 1.246 0.902 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 64.4 m 65.66 88.55 0.11 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.473 -1.24 . . . . 0.0 112.795 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -134.0 167.71 20.12 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.558 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -104.7 134.84 19.45 Favored Pre-proline 0 C--N 1.286 -2.164 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.187 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -58.54 -37.54 94.05 Favored 'Trans proline' 0 CA--C 1.535 0.572 0 C-N-CA 122.445 2.097 . . . . 0.0 110.518 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 tt -69.05 -45.56 79.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.411 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 26.4 mmt -67.18 -39.78 86.45 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.44 -21.61 59.52 Favored 'General case' 0 C--N 1.313 -0.985 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.954 -178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -69.7 -42.08 74.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.498 0.666 . . . . 0.0 109.482 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -66.77 -38.51 86.71 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.705 178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.53 ' O ' HG13 ' B' ' 50' ' ' ILE . 45.2 ttp180 -58.92 -53.9 53.24 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' B' ' 50' ' ' ILE . 61.7 ttp180 -49.18 -47.98 45.5 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 124.927 1.291 . . . . 0.0 111.518 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -61.07 -49.32 77.82 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' A' ' 82' ' ' GLU . 52.4 ttt180 -61.92 -30.86 71.18 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 123.568 0.543 . . . . 0.0 110.239 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 46' ' ' ARG . 90.8 mt -61.87 -56.98 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -61.21 -45.29 95.2 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 120.977 0.418 . . . . 0.0 110.549 -178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 39.3 mt-10 -62.52 -42.0 99.22 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.146 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 35.5 m -76.78 -38.17 54.54 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 119.884 -0.726 . . . . 0.0 111.113 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -41.16 89.99 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.006 0.431 . . . . 0.0 109.969 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 33.0 t -70.43 -42.67 71.25 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.68 -28.91 67.29 Favored 'General case' 0 C--O 1.226 -0.138 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.323 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.727 HD23 HG22 ' A' ' 85' ' ' VAL . 3.1 tm? -63.48 -59.43 4.67 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.175 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -28.19 44.94 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -66.83 -59.81 3.22 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.317 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.59 -40.4 95.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.476 ' O ' HD13 ' B' ' 65' ' ' LEU . 48.8 mm -63.67 -50.49 77.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.068 0.461 . . . . 0.0 110.869 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -33.08 74.28 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.199 -0.601 . . . . 0.0 109.567 -175.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.645 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 11.7 m-20 -77.84 -27.97 50.02 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.42 -37.26 25.75 Favored 'General case' 0 C--N 1.292 -1.913 0 C-N-CA 119.104 -1.039 . . . . 0.0 110.818 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.476 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.5 mp -88.71 -28.19 20.71 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.024 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.645 ' HE3' ' O ' ' B' ' 63' ' ' ASP . 10.1 mmpt? 58.01 66.03 1.19 Allowed 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 124.548 1.155 . . . . 0.0 110.512 178.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -76.36 -71.56 0.38 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.976 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -172.75 145.53 1.5 Allowed 'General case' 0 CA--C 1.474 -1.969 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 m -76.05 -28.89 57.83 Favored 'General case' 0 C--N 1.275 -2.659 0 O-C-N 123.711 0.632 . . . . 0.0 110.939 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -72.78 -38.43 67.28 Favored 'General case' 0 N--CA 1.439 -0.978 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.577 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -80.15 -16.55 54.65 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.833 -178.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -67.78 -42.41 81.71 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 173.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 22.3 m -83.97 7.8 17.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.432 0.634 . . . . 0.0 111.014 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.633 ' HA ' ' HE3' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -127.57 23.88 6.25 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.981 1.372 . . . . 0.0 107.49 178.216 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 34.7 mt -82.04 98.1 8.46 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.849 179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -81.16 162.96 23.42 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.7 ttmt -52.11 -47.63 65.2 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -26.65 68.57 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.729 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -43.67 55.06 Favored 'General case' 0 CA--C 1.484 -1.568 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.608 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 57.2 mt -66.23 -51.52 58.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.445 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 72.1 mt -53.48 -50.81 64.57 Favored 'General case' 0 C--O 1.244 0.767 0 O-C-N 123.89 0.744 . . . . 0.0 110.617 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 25.0 tt0 -60.18 -42.33 94.78 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.127 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 37.4 ttp -61.82 -34.71 76.43 Favored 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -173.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.605 ' CG2' HD21 ' B' ' 57' ' ' LEU . 0.2 OUTLIER -66.74 -47.15 73.14 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.104 0.478 . . . . 0.0 110.496 173.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 81' ' ' LEU . 48.0 t -59.56 -42.44 88.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 121.987 0.899 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.7 mtmt -65.66 -34.56 78.5 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.545 177.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.43 -34.54 78.53 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.1 -47.81 84.36 Favored 'General case' 0 N--CA 1.425 -1.682 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -57.62 -47.68 81.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.434 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -60.68 -56.32 22.7 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.665 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 64.9 mt -64.78 -34.98 79.63 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.883 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -62.52 -33.76 75.55 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.816 0.341 . . . . 0.0 111.795 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.76 -6.25 43.47 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.39 -26.05 62.61 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.376 0.607 . . . . 0.0 110.44 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.434 -1.231 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.037 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 61.7 mttp -90.03 166.39 20.5 Favored Pre-proline 0 C--O 1.251 1.178 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -177.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 27' ' ' LYS . 8.1 Cg_endo -49.8 142.75 24.87 Favored 'Trans proline' 0 C--N 1.362 1.245 0 C-N-CA 123.173 2.582 . . . . 0.0 112.764 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -140.0 179.01 6.86 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.792 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 m -91.93 96.88 10.63 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -107.02 -4.21 19.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.269 0.557 . . . . 0.0 110.768 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -149.43 150.34 32.23 Favored 'General case' 0 N--CA 1.427 -1.578 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -81.64 -27.58 34.06 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 m80 66.37 166.28 0.2 Allowed 'General case' 0 C--O 1.252 1.191 0 C-N-CA 124.63 1.172 . . . . 0.0 110.853 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -163.62 164.6 24.0 Favored 'General case' 0 C--O 1.245 0.845 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -172.61 115.2 0.3 Allowed 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.996 2.119 . . . . 0.0 105.606 174.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.1 p -129.14 -38.21 1.62 Allowed 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -129.46 -94.7 0.41 Allowed 'General case' 0 C--N 1.284 -2.251 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.8 mmpt? -106.29 124.87 34.45 Favored Pre-proline 0 C--N 1.274 -2.686 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.411 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' HE2' ' A' ' 39' ' ' LYS . 21.4 Cg_endo -60.68 -38.21 73.35 Favored 'Trans proline' 0 C--O 1.217 -0.573 0 C-N-CA 122.722 2.281 . . . . 0.0 110.985 -177.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 tt -70.61 -45.03 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.69 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HB2' ' HB2' ' A' ' 39' ' ' LYS . 25.7 mmt -65.55 -42.49 91.84 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-O 120.907 0.384 . . . . 0.0 111.91 -177.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.0 pt-20 -79.16 -16.75 56.16 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.883 -178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.6 -37.4 59.86 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 172.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -67.17 -42.62 83.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.515 176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 50' ' ' ILE . 44.7 ttm180 -64.17 -40.45 96.15 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.799 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.5 ttp180 -55.71 -44.15 77.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 123.343 0.657 . . . . 0.0 110.122 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -56.61 -51.95 66.72 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -57.8 -39.3 77.23 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.516 0.51 . . . . 0.0 111.398 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.8 mt -58.73 -53.32 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 O-C-N 123.403 0.44 . . . . 0.0 110.013 177.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.55 -45.5 93.9 Favored 'General case' 0 CA--C 1.506 -0.713 0 CA-C-O 120.994 0.426 . . . . 0.0 110.586 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 40.8 mt-10 -60.94 -42.56 98.41 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.939 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -76.86 -35.0 57.79 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.498 -177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.73 -40.15 69.6 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -64.34 -49.47 71.54 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.407 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.439 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 10.5 pt20 -67.41 -30.56 70.35 Favored 'General case' 0 C--O 1.215 -0.714 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.55 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.6 tt -57.89 -57.35 13.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -52.75 -44.47 66.48 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.648 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.9 m -65.4 -50.26 66.17 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.094 -174.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 79.4 mt -73.05 -30.7 63.91 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.91 -175.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 61' ' ' ILE . 25.7 mm -66.59 -46.51 85.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.065 0.459 . . . . 0.0 110.173 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.8 -20.77 64.34 Favored 'General case' 0 C--O 1.197 -1.702 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.45 -31.26 29.55 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 123.665 0.786 . . . . 0.0 111.037 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.99 -36.78 24.77 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.475 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.8 mp -95.62 -37.06 11.0 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 119.793 -0.763 . . . . 0.0 111.236 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt 55.06 67.02 1.08 Allowed 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 122.438 1.113 . . . . 0.0 111.982 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 66.9 mttm -78.57 -71.33 0.44 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.62 152.12 3.08 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -87.23 -20.17 27.31 Favored 'General case' 0 C--N 1.298 -1.638 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.566 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.0 t -71.39 -45.95 61.49 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.675 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -73.35 -17.94 61.24 Favored 'General case' 0 C--O 1.204 -1.329 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.661 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -72.87 -34.85 67.0 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.0 m -80.32 -8.81 59.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.551 0.691 . . . . 0.0 111.107 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -117.38 19.82 13.88 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 122.915 1.341 . . . . 0.0 108.026 -179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 17.0 mt -83.28 109.58 17.37 Favored 'General case' 0 N--CA 1.411 -2.383 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.435 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -80.09 156.86 26.86 Favored 'General case' 0 C--N 1.284 -2.24 0 CA-C-N 114.229 -1.35 . . . . 0.0 108.097 176.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 28.5 ttpt -52.93 -42.14 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -176.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.429 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -59.61 -35.03 73.53 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.309 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.02 -43.56 24.05 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.735 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 68.3 mt -59.04 -51.8 68.24 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 83.5 mt -58.64 -50.49 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.969 0.414 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 29.5 tt0 -61.08 -37.36 82.43 Favored 'General case' 0 C--O 1.202 -1.443 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.826 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.628 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 47.6 tpp -64.79 -38.08 89.78 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.428 0.632 . . . . 0.0 109.511 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 m -66.96 -39.16 87.18 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 114.179 -1.373 . . . . 0.0 109.659 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.605 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 46.7 t -71.81 -42.66 69.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-O 121.142 0.496 . . . . 0.0 110.158 178.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 44.7 mtmt -65.94 -36.78 84.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.963 0.411 . . . . 0.0 110.977 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.572 ' CG ' HD11 ' A' ' 65' ' ' LEU . 80.8 t60 -70.93 -27.14 63.55 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 120.795 0.331 . . . . 0.0 110.152 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 19.8 tp -62.36 -40.09 95.28 Favored 'General case' 0 C--O 1.199 -1.602 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -65.02 -42.68 94.19 Favored 'General case' 0 C--O 1.255 1.395 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.149 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 93' ' ' ARG . 62.7 m-20 -59.98 -46.14 90.41 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.529 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.45 -43.85 76.17 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.029 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -63.05 -17.32 62.12 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -174.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 90' ' ' ASN . 0.0 OUTLIER -104.5 -14.42 15.69 Favored 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 116.454 -2.098 . . . . 0.0 109.035 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.97 -7.05 59.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.87 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.034 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 CA--C 1.506 -0.747 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttm 64.24 103.25 0.03 OUTLIER Pre-proline 0 C--O 1.241 0.631 0 O-C-N 124.598 1.187 . . . . 0.0 110.68 -178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -73.65 134.94 21.05 Favored 'Trans proline' 0 N--CA 1.443 -1.464 0 C-N-CA 122.065 1.844 . . . . 0.0 112.649 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -115.34 95.96 5.43 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m -68.61 137.58 54.36 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.053 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.14 75.06 10.37 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 173.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -59.79 142.71 52.79 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.852 -1.522 . . . . 0.0 111.769 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -80.62 82.46 6.63 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -104.1 1.71 31.18 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 122.007 0.908 . . . . 0.0 108.65 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -149.74 143.2 25.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.669 -176.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -158.45 162.77 37.57 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -138.39 103.73 4.97 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -95.41 -0.06 52.9 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.5 mmpt? -86.93 122.4 71.3 Favored Pre-proline 0 N--CA 1.427 -1.616 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 172.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.53 -37.78 78.01 Favored 'Trans proline' 0 CA--C 1.513 -0.559 0 C-N-CA 123.581 2.854 . . . . 0.0 111.809 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.456 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 10.3 tt -76.78 -42.71 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.201 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.436 ' HB2' ' HB2' ' B' ' 39' ' ' LYS . 96.9 mmm -65.02 -40.46 94.91 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.303 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.77 -30.95 68.64 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.034 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -74.69 -45.0 47.31 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.494 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 43.5 mtp-105 -58.56 -43.31 89.31 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.313 0.578 . . . . 0.0 110.041 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.504 ' O ' HG13 ' B' ' 50' ' ' ILE . 24.7 ttm105 -62.41 -54.55 38.58 Favored 'General case' 0 C--O 1.209 -1.032 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.708 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' B' ' 50' ' ' ILE . 26.4 ttt85 -54.77 -47.19 74.23 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 124.072 0.949 . . . . 0.0 111.501 -177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.94 71.64 Favored 'General case' 0 N--CA 1.437 -1.099 0 C-N-CA 123.207 0.603 . . . . 0.0 109.956 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -66.08 -30.99 71.6 Favored 'General case' 0 C--O 1.205 -1.253 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.383 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 46' ' ' ARG . 97.0 mt -59.02 -56.96 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.948 0.404 . . . . 0.0 110.09 175.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -61.28 -43.01 99.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.465 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -66.84 -37.8 85.17 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 28.6 p -75.74 -41.6 52.85 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.761 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.48 -38.63 87.99 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.6 0.563 . . . . 0.0 109.65 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' B' ' 58' ' ' LYS . 14.3 t -66.41 -51.39 57.47 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -67.87 -30.34 69.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.606 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.28 -54.88 41.83 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.491 1.116 . . . . 0.0 108.739 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' B' ' 55' ' ' SER . 5.0 ttpm? -48.17 -48.69 34.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.777 174.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 32.9 m -67.63 -55.2 14.25 Favored 'General case' 0 N--CA 1.424 -1.729 0 CA-C-N 114.563 -1.198 . . . . 0.0 111.479 -172.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.51 -35.97 81.57 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.59 ' O ' HD12 ' B' ' 65' ' ' LEU . 28.4 mm -66.81 -56.44 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 O-C-N 123.238 0.336 . . . . 0.0 110.492 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.14 -36.19 79.12 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.524 ' O ' ' HE3' ' B' ' 66' ' ' LYS . 0.6 OUTLIER -73.71 -25.42 60.21 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.004 -177.678 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.76 -29.47 45.15 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 119.377 -0.929 . . . . 0.0 111.754 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.59 HD12 ' O ' ' B' ' 61' ' ' ILE . 4.1 mp -91.57 -31.38 15.93 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 118.4 -1.32 . . . . 0.0 109.317 177.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.545 ' HA ' ' HE2' ' B' ' 66' ' ' LYS . 9.5 mmpt? 64.02 66.02 0.67 Allowed 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 124.53 1.144 . . . . 0.0 109.418 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.741 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.1 mttm -79.68 -69.78 0.56 Allowed 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 114.094 -1.412 . . . . 0.0 111.477 -178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -179.09 146.51 0.3 Allowed 'General case' 0 CA--C 1.464 -2.337 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.6 m -75.4 -22.9 57.08 Favored 'General case' 0 N--CA 1.4 -2.937 0 O-C-N 123.905 0.753 . . . . 0.0 112.118 -178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 46.9 t -70.56 -46.22 63.94 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -78.61 -7.24 57.41 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.472 -179.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -85.65 -27.57 25.31 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.4 m -92.63 -4.58 53.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 122.1 0.952 . . . . 0.0 109.902 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.3 24.97 11.2 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 25.1 mt -85.1 112.28 20.52 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 114.18 -1.373 . . . . 0.0 111.946 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -90.43 158.69 16.95 Favored 'General case' 0 C--N 1.287 -2.111 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 33.8 ttmt -51.63 -45.99 63.48 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -177.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.42 -26.83 68.15 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.159 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.2 -43.97 27.03 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.492 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 70.4 mt -64.26 -50.59 75.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 113.335 -1.757 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 85.3 mt -56.8 -51.6 68.3 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-O 121.068 0.461 . . . . 0.0 110.337 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.655 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.8 tt0 -64.73 -35.99 82.83 Favored 'General case' 0 N--CA 1.421 -1.911 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.752 -176.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.741 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 35.5 tpp -62.98 -41.0 99.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.516 0.674 . . . . 0.0 109.674 -175.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 19.2 m -64.13 -41.2 97.3 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.145 -1.388 . . . . 0.0 110.463 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 40.2 t -71.43 -41.3 73.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.464 0.65 . . . . 0.0 110.115 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 43.9 mtmt -67.83 -40.48 83.76 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.732 -0.605 . . . . 0.0 110.591 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.424 ' HA ' ' ND2' ' B' ' 90' ' ' ASN . 86.4 t60 -67.54 -26.73 66.46 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.127 176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 19.4 tp -59.94 -47.65 84.93 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 175.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -37.18 86.3 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.669 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 73.5 m-20 -61.46 -47.04 87.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 123.595 0.559 . . . . 0.0 110.529 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.06 -30.88 67.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.095 0.474 . . . . 0.0 111.412 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -78.18 -15.04 59.2 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.1 OUTLIER -104.72 0.73 28.61 Favored 'General case' 0 CA--C 1.506 -0.749 0 O-C-N 121.957 -0.464 . . . . 0.0 111.103 -176.271 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.06 -6.18 53.79 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 120.349 -0.541 . . . . 0.0 110.741 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.434 -1.255 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 54.6 ttm . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 120.476 0.179 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -88.37 148.92 43.58 Favored Pre-proline 0 C--N 1.322 -0.59 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.988 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -71.27 149.06 56.68 Favored 'Trans proline' 0 C--O 1.241 0.647 0 C-N-CA 122.464 2.109 . . . . 0.0 109.791 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -105.74 -61.12 1.54 Allowed 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 119.791 -0.763 . . . . 0.0 110.181 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 p -95.77 -39.48 9.83 Favored 'General case' 0 N--CA 1.437 -1.107 0 CA-C-O 121.499 0.666 . . . . 0.0 110.518 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.5 -176.82 6.11 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.8 m -81.04 -18.75 45.68 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.331 178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' OE1' ' HD2' ' A' ' 35' ' ' ARG . 5.7 tp10 -84.28 79.2 9.62 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.646 0.736 . . . . 0.0 111.899 -178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -117.23 88.85 2.99 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 168.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' OE1' ' A' ' 33' ' ' GLU . 10.2 ptm85 -116.7 115.86 26.44 Favored 'General case' 0 N--CA 1.421 -1.889 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 -168.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -163.83 149.1 10.76 Favored 'General case' 0 N--CA 1.413 -2.304 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 168.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.8 m -129.99 76.25 1.71 Allowed 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.804 -0.759 . . . . 0.0 111.205 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 p -163.77 157.81 19.44 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.036 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 8.9 mmpt? -99.07 142.68 25.02 Favored Pre-proline 0 C--N 1.292 -1.895 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 2.3 Cg_endo -53.85 -39.47 84.19 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.319 2.012 . . . . 0.0 111.534 177.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.8 tt -71.17 -43.68 74.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 120.78 0.324 . . . . 0.0 111.35 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm -70.33 -39.26 74.85 Favored 'General case' 0 CA--C 1.503 -0.852 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 pt-20 -74.18 -22.04 59.57 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.074 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -69.58 -42.1 74.94 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.69 -46.89 80.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.836 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 50' ' ' ILE . 33.7 ttm180 -56.79 -52.14 66.18 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.692 178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 50' ' ' ILE . 10.5 ptm180 -58.53 -38.16 77.18 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.71 -49.67 76.84 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -63.27 -39.34 94.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.385 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD13 ' HE3' ' B' ' 77' ' ' LYS . 96.7 mt -58.38 -57.24 11.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.261 0 C-N-CA 123.043 0.537 . . . . 0.0 110.432 176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -60.92 -44.49 97.13 Favored 'General case' 0 CA--C 1.492 -1.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.643 -176.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 69.7 mm-40 -58.14 -38.7 77.05 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.105 177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 m -76.75 -39.13 52.76 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.851 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -65.39 -38.86 91.24 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 t -60.05 -56.01 26.87 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.758 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -66.08 -29.53 69.87 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.772 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.84 -58.57 7.97 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 123.746 0.818 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -62.48 -30.12 71.03 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.848 0.356 . . . . 0.0 111.03 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.7 m -69.48 -55.47 10.14 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.657 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.07 -29.86 69.75 Favored 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 84' ' ' THR . 23.9 mm -63.43 -50.65 77.71 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.17 0.509 . . . . 0.0 109.861 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -72.75 -24.0 60.9 Favored 'General case' 0 C--O 1.198 -1.643 0 C-N-CA 120.346 -0.541 . . . . 0.0 109.673 -177.454 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -82.99 -34.35 26.38 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.18 -35.4 23.58 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.059 0.933 . . . . 0.0 109.865 -176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt -97.98 -29.03 13.52 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.509 -172.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 33.9 mtmt 48.22 71.4 0.35 Allowed 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 176.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.698 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 67.4 mttm -77.11 -80.43 0.1 Allowed 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 113.651 -1.613 . . . . 0.0 109.595 177.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.479 ' HB3' ' HG3' ' A' ' 71' ' ' ARG . 7.0 t70 -161.57 151.09 16.47 Favored 'General case' 0 CA--C 1.47 -2.121 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.2 t -83.97 -28.57 27.68 Favored 'General case' 0 C--N 1.269 -2.932 0 O-C-N 124.023 0.827 . . . . 0.0 109.481 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 m -66.74 -49.93 64.39 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.832 -177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -79.78 -13.16 59.63 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.744 -176.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -57.68 -38.85 75.86 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 121.708 0.766 . . . . 0.0 109.236 175.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -84.47 15.12 3.89 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.636 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -132.09 14.23 4.71 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 122.434 1.112 . . . . 0.0 109.469 176.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -85.31 126.68 33.92 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 80' ' ' ILE . 32.1 mt-10 -79.84 156.47 27.36 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 175.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 29.0 ttpt -50.28 -39.45 45.33 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.04 0.837 . . . . 0.0 112.607 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.28 -39.73 76.31 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 114.734 -1.121 . . . . 0.0 110.933 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.8 -32.89 40.79 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.49 -174.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 76' ' ' GLU . 2.3 mp -61.69 -51.21 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.4 mt -60.32 -49.67 76.69 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.005 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.672 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 25.3 tt0 -58.79 -38.98 79.75 Favored 'General case' 0 C--O 1.201 -1.451 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.278 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.698 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 50.6 tpp -64.41 -42.08 96.28 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -174.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.421 HG23 HD11 ' A' ' 61' ' ' ILE . 10.6 m -64.7 -40.73 95.87 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.805 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.66 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 63.3 t -65.88 -54.39 27.92 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.905 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.9 mtmt -56.24 -40.37 74.02 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.65 0.738 . . . . 0.0 110.997 -178.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . 0.258 43.3 m-70 -75.09 -26.28 59.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.3 pp -72.29 -28.56 63.18 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.473 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 15.8 mmm-85 -66.11 -44.65 83.68 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 177.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -56.09 -55.27 35.04 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.339 178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.05 -30.07 71.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -39.73 95.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.946 0.403 . . . . 0.0 111.248 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.86 20.6 16.29 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -177.504 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.85 30.4 0.38 Allowed 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.352 0.596 . . . . 0.0 110.156 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 93' ' ' ARG . 28.3 mm-40 . . . . . 0 N--CA 1.426 -1.669 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 15.0 tpt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 tttp 57.89 97.37 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 124.57 1.148 . . . . 0.0 110.945 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.01 125.59 17.69 Favored 'Trans proline' 0 C--O 1.251 1.129 0 C-N-CA 123.651 2.901 . . . . 0.0 113.893 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -106.21 85.11 2.14 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 176.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 28.4 m -138.26 -61.73 0.59 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 122.03 -0.419 . . . . 0.0 110.755 -175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.23 67.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.859 0.838 . . . . 0.0 108.775 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -109.96 114.76 28.55 Favored 'General case' 0 N--CA 1.414 -2.242 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -47.4 -58.61 3.96 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 124.235 1.014 . . . . 0.0 112.307 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 72.2 m80 62.02 80.91 0.21 Allowed 'General case' 0 C--O 1.245 0.824 0 O-C-N 124.294 0.996 . . . . 0.0 109.359 -173.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 tpp180 -50.9 124.55 11.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.076 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.55 90.96 3.84 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.017 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.2 p -137.02 -17.84 1.37 Allowed 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.608 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.0 p -161.71 -166.48 1.49 Allowed 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' B' ' 43' ' ' GLU . 20.6 mmtp -104.36 120.51 50.45 Favored Pre-proline 0 N--CA 1.409 -2.525 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 176.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 39' ' ' LYS . 26.6 Cg_exo -58.49 -40.64 72.66 Favored 'Trans proline' 0 C--N 1.327 -0.568 0 C-N-CA 123.493 2.796 . . . . 0.0 110.48 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tt -66.27 -42.7 91.32 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.206 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt -70.08 -40.88 74.74 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.259 -175.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.6 pt-20 -77.47 -20.21 54.74 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.369 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -72.72 -43.49 62.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -63.45 -37.43 87.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.772 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.586 ' O ' HG13 ' B' ' 50' ' ' ILE . 41.4 ttt180 -59.88 -53.16 61.15 Favored 'General case' 0 C--O 1.202 -1.419 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.446 176.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' B' ' 50' ' ' ILE . 94.7 mtt180 -58.48 -42.63 87.98 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 123.372 0.42 . . . . 0.0 111.521 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -56.59 -49.16 75.73 Favored 'General case' 0 N--CA 1.439 -1.006 0 O-C-N 123.624 0.578 . . . . 0.0 109.548 177.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.22 -27.54 64.55 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.417 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.586 HG13 ' O ' ' B' ' 46' ' ' ARG . 98.6 mt -59.7 -52.87 55.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 174.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -65.36 -43.03 92.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.63 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 47.6 mm-40 -65.38 -32.56 74.26 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -75.1 -41.43 58.66 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.53 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.14 -36.56 84.01 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 46.7 t -59.67 -57.95 10.7 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.754 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -67.9 -29.88 69.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.914 0.388 . . . . 0.0 110.833 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.94 -58.9 6.37 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 124.012 0.925 . . . . 0.0 110.358 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 pttt -62.34 -33.06 73.97 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.891 0.376 . . . . 0.0 110.954 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 78.1 m -63.71 -56.32 16.59 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.982 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.33 -27.47 60.71 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 10.4 mm -60.78 -55.5 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.779 0.323 . . . . 0.0 111.23 176.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.6 tt -75.22 -21.03 58.93 Favored 'General case' 0 C--O 1.191 -1.989 0 C-N-CA 119.949 -0.7 . . . . 0.0 110.369 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.89 -30.84 67.32 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.587 175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.22 25.38 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 121.357 0.599 . . . . 0.0 109.881 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 16.8 mt -93.27 -38.13 11.68 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.515 -174.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt 51.93 65.68 1.42 Allowed 'General case' 0 CA--C 1.506 -0.73 0 C-N-CA 124.587 1.155 . . . . 0.0 111.393 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 66.1 mttm -79.33 -70.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.595 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.571 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.8 t70 -162.05 134.2 5.64 Favored 'General case' 0 CA--C 1.476 -1.872 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 21.2 p -87.35 -15.64 37.32 Favored 'General case' 0 N--CA 1.406 -2.649 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . 0.571 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 47.2 t -69.41 -51.27 38.1 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.497 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -73.46 -9.82 59.08 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.298 -179.445 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.587 ' HA ' HD23 ' B' ' 75' ' ' LEU . 3.6 t-80 -63.02 -22.3 66.76 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 173.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 16.3 m -92.44 3.17 56.01 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.28 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.01 36.99 3.24 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 122.841 1.305 . . . . 0.0 108.469 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' B' ' 72' ' ' HIS . 0.7 OUTLIER -83.11 124.05 30.1 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.245 175.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -86.45 144.49 27.26 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 25.8 ttpt -55.36 -38.37 68.73 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.389 0.614 . . . . 0.0 111.551 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.26 -33.76 76.21 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.132 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -78.95 -39.34 34.78 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.679 -175.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' B' ' 75' ' ' LEU . 76.5 mt -61.75 -54.09 39.42 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.931 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 82.9 mt -58.3 -47.43 83.72 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.148 0.499 . . . . 0.0 109.664 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.2 tt0 -62.19 -38.05 87.65 Favored 'General case' 0 C--O 1.203 -1.373 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.111 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.518 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 36.3 tpp -68.54 -32.02 71.65 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.613 0.72 . . . . 0.0 109.685 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.417 HG23 HD11 ' B' ' 61' ' ' ILE . 13.6 m -70.46 -42.11 71.89 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.801 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 59.7 t -69.75 -40.38 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.673 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 75.4 mttt -65.57 -33.05 75.0 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.229 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.496 ' CD2' HD21 ' B' ' 65' ' ' LEU . 14.3 t-80 -69.74 -30.25 67.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.807 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 4.3 tt -64.98 -42.38 94.58 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 106.437 -1.69 . . . . 0.0 106.437 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.6 mmm180 -61.56 -48.83 79.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 114.585 -1.189 . . . . 0.0 109.51 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -55.29 -50.72 68.82 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.169 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' B' ' 87' ' ' HIS . 87.0 mt -63.12 -44.6 95.18 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.11 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -63.32 -21.35 66.21 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 6.5 ppt_? -111.66 5.62 19.4 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 122.02 0.914 . . . . 0.0 111.227 -176.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.77 16.43 17.52 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.998 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.426 -1.675 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 -177.769 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.9 ptm . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt 66.94 89.36 0.1 OUTLIER Pre-proline 0 CA--C 1.512 -0.498 0 C-N-CA 125.554 1.542 . . . . 0.0 110.939 -178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.77 94.52 0.7 Allowed 'Trans proline' 0 N--CA 1.445 -1.363 0 C-N-CA 122.21 1.94 . . . . 0.0 109.891 178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -107.81 -48.09 3.47 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.352 -176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -95.14 -42.86 8.37 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.345 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.04 -70.12 0.41 Allowed 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.756 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.8 m 65.11 174.18 0.21 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.834 0.854 . . . . 0.0 112.412 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 60.35 72.43 0.52 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.38 1.072 . . . . 0.0 111.801 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -109.88 70.06 0.72 Allowed 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 122.085 0.945 . . . . 0.0 110.886 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -161.07 26.77 0.14 Allowed 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -158.02 133.48 8.91 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 114.275 -1.33 . . . . 0.0 108.864 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t -151.77 104.39 3.02 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.4 p -176.97 -170.35 0.3 Allowed 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 125.113 1.365 . . . . 0.0 107.502 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -104.78 120.19 51.01 Favored Pre-proline 0 N--CA 1.434 -1.23 0 CA-C-N 118.26 0.482 . . . . 0.0 111.516 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.58 -36.12 77.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.08 2.52 . . . . 0.0 111.964 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.7 tt -69.46 -43.92 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.745 0.307 . . . . 0.0 110.447 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.3 mmm -66.46 -43.8 84.53 Favored 'General case' 0 CA--C 1.506 -0.743 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.604 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.24 -15.03 56.79 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.521 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -69.45 -41.88 75.68 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 174.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -64.19 -45.55 87.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.446 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 50' ' ' ILE . 59.0 ttp180 -58.53 -49.16 78.42 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.401 175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.686 ' HA ' HD12 ' A' ' 50' ' ' ILE . 77.8 ttt180 -56.79 -37.49 71.21 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.154 179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -61.65 -43.63 98.49 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.3 -31.42 72.57 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.779 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 47' ' ' ARG . 81.5 mt -61.47 -53.12 52.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 175.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -61.35 -43.45 98.85 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.663 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 63.2 mt-10 -55.56 -49.02 73.82 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.076 178.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -73.85 -44.22 56.2 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.522 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.14 -41.51 97.16 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -62.25 -49.86 74.03 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.197 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -73.6 -25.05 60.15 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.814 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 tt -58.84 -59.22 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 123.657 0.783 . . . . 0.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -62.0 -36.67 82.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.9 m -62.29 -54.73 36.46 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.181 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.63 -31.65 68.67 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG23 ' CD2' ' A' ' 87' ' ' HIS . 12.4 mm -62.88 -43.07 98.67 Favored 'Isoleucine or valine' 0 C--O 1.281 2.734 0 CA-C-O 122.386 1.088 . . . . 0.0 110.309 174.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -71.53 -38.17 71.09 Favored 'General case' 0 C--O 1.194 -1.867 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.257 -179.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.532 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 5.2 t70 -78.3 -25.28 46.53 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.036 0.446 . . . . 0.0 112.182 -176.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.71 -42.58 67.2 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' HD2' ' A' ' 67' ' ' LYS . 7.3 mp -102.32 -28.73 12.08 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 117.854 -1.538 . . . . 0.0 113.245 -178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.532 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 25.0 mtmt 54.97 65.8 1.4 Allowed 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 122.759 1.266 . . . . 0.0 110.57 -177.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HD2' ' HB2' ' A' ' 65' ' ' LEU . 2.9 mppt? -79.97 -72.62 0.39 Allowed 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 112.794 -2.003 . . . . 0.0 109.915 -178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 71' ' ' ARG . 7.6 m-20 -153.74 150.92 29.02 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.418 -177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -86.9 -29.45 22.13 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 t -61.64 -53.03 61.64 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.089 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -67.76 -32.44 73.03 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.347 177.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 11.8 t-160 -58.36 -46.5 86.17 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.551 0.532 . . . . 0.0 111.076 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.2 p -85.6 4.21 37.23 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.445 0.64 . . . . 0.0 112.35 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -126.72 18.03 7.39 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.476 1.131 . . . . 0.0 108.192 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 15.9 mt -71.51 115.04 10.21 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.421 -178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -77.94 149.68 34.14 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 174.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 21.9 ttmt -49.98 -47.5 52.77 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.73 -31.43 72.42 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-O 121.286 0.565 . . . . 0.0 111.251 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -73.02 -35.36 66.78 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.068 0.937 . . . . 0.0 108.879 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.554 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 73.7 mt -66.96 -49.55 72.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.525 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' A' ' 85' ' ' VAL . 52.9 mt -59.96 -50.71 72.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.91 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.5 tt0 -59.75 -36.86 77.49 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.314 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 ttm -65.24 -39.69 93.04 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.5 m -66.95 -41.43 86.97 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.44 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.686 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 47.4 t -67.66 -49.65 68.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.629 0.728 . . . . 0.0 109.93 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.5 mttm -61.7 -38.67 88.73 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.171 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.466 ' HA ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 m-70 -66.21 -32.8 74.46 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.8 pp -66.97 -40.09 87.37 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.486 -0.885 . . . . 0.0 109.494 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 0.0 OUTLIER -66.76 -34.39 77.73 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 119.045 -1.062 . . . . 0.0 111.67 178.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.466 ' ND2' ' HA ' ' A' ' 87' ' ' HIS . 78.3 m-20 -55.33 -50.85 68.56 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 76.2 mt -62.75 -45.21 93.76 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.31 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -61.3 -21.16 63.7 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 0.1 OUTLIER -115.22 -8.25 12.36 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.829 -0.748 . . . . 0.0 112.15 -176.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.31 -5.51 15.23 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 91' ' ' LEU . 8.3 mm-40 . . . . . 0 C--O 1.246 0.891 0 C-N-CA 118.1 -1.44 . . . . 0.0 107.249 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' B' ' 28' ' ' PRO . 4.4 tppp? -113.93 105.03 54.86 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 27' ' ' LYS . 1.4 Cg_endo -87.3 40.94 0.68 Allowed 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.44 2.76 . . . . 0.0 111.66 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 70.6 -57.85 0.57 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.1 1.36 . . . . 0.0 113.085 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.9 p -115.02 -65.54 1.18 Allowed 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.91 86.22 0.52 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 58.4 m -165.08 17.26 0.05 OUTLIER 'General case' 0 C--O 1.255 1.393 0 C-N-CA 125.542 1.537 . . . . 0.0 109.783 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -175.46 147.87 0.89 Allowed 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -100.89 130.94 46.97 Favored 'General case' 0 C--O 1.255 1.367 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.396 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.16 160.85 43.31 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.025 176.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -137.19 116.95 13.07 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' B' ' 43' ' ' GLU . 44.7 m -157.17 138.37 13.65 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 12.1 p -92.73 -21.46 19.94 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 122.053 0.93 . . . . 0.0 108.977 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -89.83 118.11 68.67 Favored Pre-proline 0 N--CA 1.417 -2.123 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.66 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -69.6 -29.13 25.15 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.269 1.979 . . . . 0.0 110.39 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.17 -41.55 58.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.776 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mmm -70.07 -40.17 75.21 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.529 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 14.2 pt-20 -71.82 -29.91 64.93 Favored 'General case' 0 C--O 1.2 -1.539 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.633 -179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -65.48 -46.96 77.73 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -58.99 -48.57 81.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.321 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.494 ' O ' HG13 ' B' ' 50' ' ' ILE . 34.6 ttm180 -62.72 -49.54 74.65 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.02 -178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 91.9 mtt180 -54.56 -48.01 72.57 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.714 0.406 . . . . 0.0 110.665 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.69 -48.25 82.42 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 123.483 0.489 . . . . 0.0 109.996 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -56.96 -42.35 80.0 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.815 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.494 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.4 mt -60.38 -58.72 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.085 0.554 . . . . 0.0 111.072 178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -60.43 -42.87 96.97 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.127 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -71.7 -28.14 63.5 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -77.0 -31.9 56.79 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.016 -0.673 . . . . 0.0 109.483 175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 5.0 tt -74.33 -37.25 63.61 Favored 'General case' 0 N--CA 1.429 -1.514 0 C-N-CA 123.417 0.687 . . . . 0.0 109.424 -178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 36.9 p -69.8 -44.39 70.12 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.71 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -66.53 -31.48 72.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 120.231 -0.588 . . . . 0.0 109.432 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 8.8 tt -59.48 -58.6 7.88 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.75 1.22 . . . . 0.0 110.734 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.655 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -61.57 -30.63 70.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.579 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 92.8 m -66.14 -52.03 52.34 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.648 -177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.67 -33.71 71.23 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.371 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.676 ' O ' ' HG ' ' B' ' 65' ' ' LEU . 23.8 mm -63.44 -53.33 46.77 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.712 0 O-C-N 123.474 0.484 . . . . 0.0 110.793 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' B' ' 72' ' ' HIS . 2.1 tm? -62.08 -38.06 87.39 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.82 -175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.622 ' HA ' ' HE3' ' B' ' 66' ' ' LYS . 58.2 m-20 -73.6 -25.76 60.49 Favored 'General case' 0 N--CA 1.436 -1.174 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.74 -22.65 31.88 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.636 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 17.0 mt -95.27 -38.08 10.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.326 -177.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.622 ' HE3' ' HA ' ' B' ' 63' ' ' ASP . 11.1 mmpt? 61.2 61.98 1.47 Allowed 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.855 -178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.532 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -86.07 -79.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.126 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.448 ' HB2' ' HG2' ' B' ' 71' ' ' ARG . 24.8 m-20 -157.85 149.64 21.87 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' B' ' 72' ' ' HIS . 16.5 p -87.15 -23.48 24.82 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-O 121.283 0.563 . . . . 0.0 111.272 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 54.7 m -69.11 -43.79 73.73 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.551 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 12.8 ptp180 -63.32 -38.07 89.72 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' B' ' 69' ' ' SER . 28.4 t-80 -52.32 -38.63 59.07 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.096 0.959 . . . . 0.0 111.11 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.5 t -85.45 1.41 48.89 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.727 0.775 . . . . 0.0 110.877 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 -34.95 7.04 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 47.3 mt -33.27 109.04 0.06 Allowed 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 126.061 2.1 . . . . 0.0 114.22 -173.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.571 ' HB2' ' OD1' ' B' ' 79' ' ' ASP . 41.1 mt-10 -92.47 170.57 9.66 Favored 'General case' 0 C--N 1.274 -2.682 0 CA-C-N 113.127 -1.851 . . . . 0.0 107.888 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.451 ' O ' HD13 ' B' ' 81' ' ' LEU . 33.1 ttmt -56.78 -45.95 81.81 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -174.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.92 -32.06 72.43 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.384 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.571 ' OD1' ' HB2' ' B' ' 76' ' ' GLU . 3.0 m-20 -74.48 -52.16 12.76 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 122.078 0.942 . . . . 0.0 108.652 -174.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' B' ' 58' ' ' LYS . 83.2 mt -55.72 -52.13 51.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 CA-C-N 113.34 -1.754 . . . . 0.0 111.671 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.491 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.0 mp -54.21 -52.73 60.32 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 123.497 0.498 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 24.1 tt0 -64.35 -36.92 85.71 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.544 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.532 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 23.9 tpp -63.87 -35.63 81.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.149 0.976 . . . . 0.0 109.321 -173.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 10.1 m -74.03 -42.82 59.73 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.583 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.491 HG23 ' O ' ' B' ' 81' ' ' LEU . 76.3 t -64.24 -42.76 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.264 0.554 . . . . 0.0 109.6 178.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 72.4 mttt -63.25 -37.47 87.36 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -70.61 -26.92 63.72 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.478 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.79 -38.0 79.67 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.9 mmt180 -61.01 -48.96 79.39 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.671 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -55.03 -55.4 31.38 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.473 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 91' ' ' LEU . 82.8 mt -64.66 -33.87 76.95 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.875 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -75.55 -13.33 60.35 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -113.37 -1.05 14.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.444 0.64 . . . . 0.0 111.3 178.656 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.47 28.0 0.33 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.454 0.702 . . . . 0.0 110.682 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' B' ' 93' ' ' ARG . 23.4 mm-40 . . . . . 0 N--CA 1.423 -1.782 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 -175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.233 0.205 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -138.44 112.09 8.48 Favored Pre-proline 0 C--O 1.244 0.797 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.51 139.83 26.17 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 121.996 1.798 . . . . 0.0 110.926 178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -102.36 88.25 3.24 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-O 121.841 0.829 . . . . 0.0 109.793 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.4 m -144.0 99.88 3.47 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 74.4 -46.76 0.62 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.425 1.49 . . . . 0.0 112.163 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m 64.46 101.43 0.04 OUTLIER 'General case' 0 C--O 1.241 0.642 0 CA-C-O 122.471 1.129 . . . . 0.0 113.974 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.56 -24.28 39.35 Favored 'General case' 0 N--CA 1.424 -1.758 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.702 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -71.1 121.57 18.53 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 172.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -92.93 87.56 5.84 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 119.496 -0.882 . . . . 0.0 108.986 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -103.47 103.98 14.01 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -82.33 98.13 8.67 Favored 'General case' 0 C--N 1.271 -2.828 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.519 -174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.0 m -124.81 63.56 1.13 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 9.8 mmpt? -105.49 118.55 55.33 Favored Pre-proline 0 N--CA 1.417 -2.076 0 CA-C-N 114.917 -1.038 . . . . 0.0 110.302 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 27.3 Cg_endo -63.98 -40.19 28.77 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.748 2.298 . . . . 0.0 110.102 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 10.2 tt -66.47 -45.37 89.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.024 -177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.9 mmm -67.85 -39.73 83.76 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.16 -21.43 50.23 Favored 'General case' 0 C--O 1.211 -0.942 0 C-N-CA 119.587 -0.845 . . . . 0.0 111.241 -176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 40' ' ' PRO . 52.1 mtmt -74.12 -38.85 63.68 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.449 -0.501 . . . . 0.0 109.88 176.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 66.0 mtp180 -64.86 -44.76 88.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.789 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.52 ' O ' HG13 ' A' ' 50' ' ' ILE . 39.4 ttm180 -59.51 -55.52 33.51 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.275 176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' HA ' HD12 ' A' ' 50' ' ' ILE . 29.9 mtm180 -54.42 -43.33 71.44 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.607 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.69 -54.68 43.38 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.496 0.497 . . . . 0.0 109.975 176.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.45 ' CB ' ' HB1' ' B' ' 78' ' ' ALA . 60.0 mtp180 -61.22 -34.16 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.664 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.4 mt -59.09 -55.51 23.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 176.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -61.17 -46.4 90.64 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.713 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 17.8 mm-40 -58.53 -48.0 82.3 Favored 'General case' 0 C--O 1.249 1.067 0 O-C-N 123.565 0.541 . . . . 0.0 111.948 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.3 m -76.89 -36.94 56.36 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' ILE . 1.9 tt -65.33 -41.33 94.05 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.57 0.7 . . . . 0.0 109.445 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.8 m -66.51 -45.74 78.55 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.451 -178.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -69.37 -30.44 68.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 119.936 -0.706 . . . . 0.0 110.011 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tt -56.7 -56.94 15.04 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 124.22 1.008 . . . . 0.0 110.522 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -62.06 -36.02 80.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.187 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.7 m -66.94 -47.85 70.4 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.447 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 60' ' ' LEU . 4.3 mm? -69.49 -34.99 75.14 Favored 'General case' 0 C--O 1.212 -0.908 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.436 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.6 mm -63.49 -40.25 88.36 Favored 'Isoleucine or valine' 0 C--O 1.29 3.212 0 CA-C-O 122.089 0.947 . . . . 0.0 110.795 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD22 ' HD2' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -60.94 -51.29 69.91 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.188 -1.369 . . . . 0.0 108.269 -179.141 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.702 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 20.6 t70 -69.83 -42.82 73.11 Favored 'General case' 0 C--O 1.169 -3.137 0 O-C-N 124.183 0.927 . . . . 0.0 111.4 -177.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' C ' HD12 ' A' ' 65' ' ' LEU . . . -54.16 -31.54 52.87 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 120.817 0.342 . . . . 0.0 111.746 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 64' ' ' ALA . 6.6 mp -115.58 -8.53 12.11 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.12 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.702 ' HE2' ' O ' ' A' ' 63' ' ' ASP . 36.7 mmtt 58.69 56.49 4.17 Favored 'General case' 0 CA--C 1.491 -1.324 0 C-N-CA 124.416 1.086 . . . . 0.0 110.309 175.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HD2' HD22 ' A' ' 62' ' ' LEU . 47.6 mttp -62.93 -82.88 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 113.486 -1.688 . . . . 0.0 112.029 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -179.08 142.97 0.2 Allowed 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 -176.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.6 p -78.7 -18.39 54.4 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.354 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.4 m -71.62 -43.21 66.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.603 ' NH1' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -80.63 -3.21 49.64 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 179.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -84.66 -22.27 29.92 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 170.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.2 t -90.74 -25.99 19.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.356 1.074 . . . . 0.0 109.423 178.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.6 35.4 2.76 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.634 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.744 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 7.0 tp -101.41 102.66 13.5 Favored 'General case' 0 N--CA 1.417 -2.092 0 CA-C-N 114.825 -1.079 . . . . 0.0 109.953 -175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -79.27 153.09 30.17 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 113.881 -1.508 . . . . 0.0 109.85 -178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.7 ttmp? -51.78 -47.81 64.02 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.44 71.44 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 83' ' ' MET . 16.3 t70 -76.05 -35.79 59.3 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.744 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.1 mt -67.25 -52.7 39.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 CA-C-N 113.923 -1.489 . . . . 0.0 110.979 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 85' ' ' VAL . 72.8 mt -60.03 -52.63 64.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.545 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 9.0 tt0 -55.98 -39.9 72.51 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.711 0.632 . . . . 0.0 112.012 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.546 ' HB2' ' O ' ' A' ' 79' ' ' ASP . 36.4 tpp -62.25 -52.59 63.13 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -173.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -61.06 -46.49 90.44 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.171 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 81' ' ' LEU . 57.7 t -63.81 -45.51 96.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-O 121.909 0.861 . . . . 0.0 110.595 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.608 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 79.7 mttt -72.29 -23.96 61.27 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-O 121.711 0.767 . . . . 0.0 111.426 -175.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -76.16 -26.04 55.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.024 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.497 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 5.1 tt -61.78 -43.54 98.65 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 176.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.608 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 4.6 mmt180 -60.37 -45.7 92.58 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.837 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 85.7 m-20 -59.67 -41.73 91.32 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.562 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.07 -38.41 61.31 Favored 'General case' 0 C--N 1.294 -1.806 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.208 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.24 -19.67 64.75 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 0.1 OUTLIER -88.58 -11.98 44.0 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.251 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.06 -21.96 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.184 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.487 HE22 HD22 ' B' ' 91' ' ' LEU . 20.2 mt-30 . . . . . 0 C--N 1.3 -1.556 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.845 -174.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 CA--C 1.503 -0.853 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -153.34 153.69 29.67 Favored Pre-proline 0 C--N 1.301 -1.527 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -55.57 -51.1 10.65 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.966 2.444 . . . . 0.0 112.812 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.9 142.33 45.99 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.77 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p 64.3 22.33 12.77 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.442 1.497 . . . . 0.0 112.408 -174.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.12 157.06 17.93 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 173.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 44.1 t -52.38 126.16 18.34 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 123.761 0.663 . . . . 0.0 111.146 -177.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -81.83 16.82 1.69 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.36 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 38.8 m80 74.95 126.95 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.464 1.506 . . . . 0.0 113.442 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 53.01 68.49 0.83 Allowed 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.766 1.226 . . . . 0.0 110.122 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.538 ' HG2' ' OE1' ' B' ' 43' ' ' GLU . 24.0 tptm -132.73 105.23 7.04 Favored 'General case' 0 N--CA 1.409 -2.506 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.076 -174.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 43.8 m 65.92 -76.44 0.05 OUTLIER 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.257 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 30.8 t -165.92 -68.77 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 CA-C-O 121.375 0.607 . . . . 0.0 109.661 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.498 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.8 mmpt? -99.07 135.21 20.9 Favored Pre-proline 0 C--N 1.287 -2.112 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.649 -175.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -54.42 -45.12 43.32 Favored 'Trans proline' 0 C--O 1.214 -0.687 0 C-N-CA 123.394 2.729 . . . . 0.0 111.418 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.0 tt -65.6 -40.83 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-O 121.339 0.59 . . . . 0.0 111.009 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -69.68 -38.0 76.85 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.621 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.538 ' OE1' ' HG2' ' B' ' 36' ' ' LYS . 1.0 OUTLIER -67.29 -36.49 81.64 Favored 'General case' 0 C--O 1.19 -2.055 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -67.67 -42.01 82.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 123.781 0.675 . . . . 0.0 112.099 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -59.18 -49.28 78.46 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.696 176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.54 ' O ' HG13 ' B' ' 50' ' ' ILE . 43.4 ttm180 -68.39 -45.68 72.04 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.342 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.5 ttt180 -56.57 -44.71 81.26 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 125.106 1.363 . . . . 0.0 110.617 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.608 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -55.8 -52.93 62.27 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.758 0.661 . . . . 0.0 109.314 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -63.15 -32.97 74.48 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.889 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.8 mt -59.9 -55.78 21.75 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -60.8 -45.17 95.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.744 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 17.6 mm-40 -59.27 -43.08 92.51 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.946 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 57' ' ' LEU . 29.7 m -77.33 -33.51 55.47 Favored 'General case' 0 N--CA 1.418 -2.053 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.468 -178.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.551 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 2.0 tt -72.48 -35.4 68.18 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-O 121.462 0.649 . . . . 0.0 109.375 -176.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.3 p -69.64 -46.45 66.14 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.039 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.9 pt20 -68.94 -31.15 69.82 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.116 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' B' ' 54' ' ' LEU . 2.0 tm? -53.06 -59.45 4.52 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.283 1.433 . . . . 0.0 107.607 175.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' B' ' 58' ' ' LYS . 4.1 tmmm? -59.17 -45.72 90.27 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.132 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 51.5 m -59.31 -51.4 70.12 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 123.447 0.467 . . . . 0.0 112.032 -175.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.59 -38.29 83.81 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.273 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.513 HD11 HG23 ' B' ' 84' ' ' THR . 29.5 mm -65.44 -36.4 77.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 122.052 0.93 . . . . 0.0 111.236 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -42.71 72.59 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.303 -0.873 . . . . 0.0 109.234 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.601 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 8.6 t70 -77.6 -30.5 52.46 Favored 'General case' 0 C--O 1.202 -1.423 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -175.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.43 -30.69 53.55 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.668 -0.645 . . . . 0.0 111.312 -178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.408 HD13 ' O ' ' B' ' 61' ' ' ILE . 6.0 mp -100.02 -32.31 11.01 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.517 -0.873 . . . . 0.0 111.927 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.601 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.0 mtmt 50.1 69.72 0.58 Allowed 'General case' 0 CA--C 1.492 -1.27 0 CA-C-O 123.083 1.421 . . . . 0.0 111.992 -178.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -81.63 -75.41 0.29 Allowed 'General case' 0 N--CA 1.414 -2.233 0 CA-C-N 112.049 -2.341 . . . . 0.0 111.86 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.9 t70 179.84 155.16 0.57 Allowed 'General case' 0 CA--C 1.473 -1.994 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' B' ' 72' ' ' HIS . 50.5 m -84.42 -20.3 32.04 Favored 'General case' 0 N--CA 1.408 -2.56 0 O-C-N 123.859 0.724 . . . . 0.0 111.721 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 16.4 m -67.75 -49.78 60.7 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -3.79 43.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.746 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' B' ' 69' ' ' SER . 10.3 t-160 -84.13 -31.43 25.22 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 m -86.8 -4.7 59.21 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 122.472 1.129 . . . . 0.0 109.886 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.06 21.72 11.72 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 123.258 1.504 . . . . 0.0 107.143 177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.588 ' HG ' ' CG1' ' B' ' 80' ' ' ILE . 10.9 tp -99.41 98.22 9.17 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 114.147 -1.388 . . . . 0.0 107.474 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -86.56 163.66 17.34 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.023 -1.444 . . . . 0.0 107.746 -178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 50' ' ' ILE . 27.2 ttpt -51.13 -42.17 60.55 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 111.62 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 49' ' ' ARG . . . -58.92 -37.8 77.49 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.485 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.06 -50.87 13.55 Favored 'General case' 0 CA--C 1.487 -1.445 0 CA-C-N 114.912 -1.04 . . . . 0.0 109.869 -175.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.588 ' CG1' ' HG ' ' B' ' 75' ' ' LEU . 70.8 mt -51.72 -48.95 37.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 114.04 -1.437 . . . . 0.0 110.721 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.482 ' O ' HG23 ' B' ' 85' ' ' VAL . 5.1 mp -55.65 -53.44 56.46 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.719 0.408 . . . . 0.0 111.423 177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 8.4 tt0 -60.54 -39.07 86.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.419 0.628 . . . . 0.0 110.155 -173.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.529 HG21 ' CD2' ' B' ' 57' ' ' LEU . 14.5 m -77.52 -40.07 44.0 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.159 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 56.3 t -67.57 -38.03 79.81 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 CA-C-O 121.84 0.829 . . . . 0.0 109.018 177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 70.8 mttt -68.27 -35.7 78.28 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.077 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.423 ' NE2' HD11 ' B' ' 91' ' ' LEU . 77.3 t60 -67.91 -26.72 66.13 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 29.1 tp -66.13 -42.45 89.09 Favored 'General case' 0 CA--C 1.495 -1.135 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 6.7 mmt180 -59.8 -46.55 88.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.29 -50.98 71.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.374 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 95' ' ' GLN . 85.8 mt -72.21 -27.4 62.52 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -70.24 -29.17 65.91 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 4.2 ppt_? -117.96 13.37 13.95 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 -179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.73 -40.2 79.05 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.303 1.049 . . . . 0.0 110.142 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . 0.594 ' NE2' ' H ' ' B' ' 95' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.28 -2.451 0 CA-C-N 113.499 -1.682 . . . . 0.0 108.33 175.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 CA--C 1.516 -0.349 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm 70.02 117.84 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.406 1.082 . . . . 0.0 113.808 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.58 95.79 1.02 Allowed 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 121.985 1.79 . . . . 0.0 108.749 172.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -89.7 -73.57 0.51 Allowed 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.598 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.7 t -178.21 14.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.22 112.61 7.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.387 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -91.6 102.42 15.06 Favored 'General case' 0 N--CA 1.421 -1.901 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.97 106.21 3.57 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.824 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -92.6 -79.69 0.39 Allowed 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.335 -172.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -115.31 -45.21 2.94 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.685 0.755 . . . . 0.0 109.099 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -93.49 82.04 4.4 Favored 'General case' 0 N--CA 1.41 -2.462 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -81.38 -4.76 56.7 Favored 'General case' 0 C--N 1.258 -3.373 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.448 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 m 60.95 23.7 13.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.086 0.954 . . . . 0.0 110.995 177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -84.93 111.01 32.44 Favored Pre-proline 0 N--CA 1.418 -2.074 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 21.2 Cg_endo -60.54 -37.24 81.89 Favored 'Trans proline' 0 CA--C 1.506 -0.91 0 C-N-CA 123.405 2.737 . . . . 0.0 111.168 -173.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.2 tt -77.36 -44.98 30.1 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.446 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.05 -42.1 85.37 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 120.563 0.221 . . . . 0.0 111.51 -177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.8 pt-20 -73.72 -25.99 60.48 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 119.678 -0.809 . . . . 0.0 110.436 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -73.55 -40.9 63.61 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -60.21 -42.12 94.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.286 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.93 -46.26 68.71 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.38 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.4 ttm180 -62.58 -39.74 94.68 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 123.807 0.843 . . . . 0.0 112.124 -177.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -59.63 -48.73 80.51 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -61.36 -39.31 90.16 Favored 'General case' 0 C--O 1.208 -1.115 0 O-C-N 124.069 0.855 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.2 mt -59.12 -53.93 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 122.742 0.417 . . . . 0.0 111.157 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -65.77 -45.81 81.11 Favored 'General case' 0 CA--C 1.477 -1.837 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.05 -174.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 9.2 pt-20 -66.52 -37.8 85.8 Favored 'General case' 0 C--N 1.309 -1.157 0 O-C-N 123.75 0.657 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.4 t -70.17 -48.67 56.29 Favored 'General case' 0 N--CA 1.426 -1.654 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 57' ' ' LEU . 2.6 tt -60.26 -37.67 81.15 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.839 0.828 . . . . 0.0 109.722 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 72.3 m -69.3 -42.39 75.51 Favored 'General case' 0 N--CA 1.423 -1.823 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.214 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.43 -29.48 61.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.714 178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 54' ' ' LEU . 1.9 tm? -52.5 -59.08 4.87 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.617 1.967 . . . . 0.0 109.183 176.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -64.4 -36.4 84.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.967 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.0 m -61.16 -53.03 62.06 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.037 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -34.47 78.39 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.557 HD11 HG23 ' A' ' 84' ' ' THR . 37.8 mm -64.83 -51.49 66.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.993 0.425 . . . . 0.0 110.631 177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -23.55 62.35 Favored 'General case' 0 C--O 1.199 -1.57 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -177.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.22 -29.93 31.09 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 120.88 0.371 . . . . 0.0 111.595 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.21 -30.14 27.96 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD21 ' CD2' ' A' ' 87' ' ' HIS . 20.2 mt -99.68 -34.39 10.22 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.069 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt 53.41 45.16 28.92 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 123.962 0.905 . . . . 0.0 111.927 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -64.58 -70.19 0.24 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.369 -1.287 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.543 ' OD2' ' HB2' ' A' ' 70' ' ' SER . 35.2 t70 -167.49 137.19 2.77 Favored 'General case' 0 CA--C 1.479 -1.772 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.6 p -86.91 -19.76 28.37 Favored 'General case' 0 N--CA 1.409 -2.477 0 CA-C-O 121.34 0.59 . . . . 0.0 111.741 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.543 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 49.6 m -69.94 -44.57 69.29 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.454 HH11 ' HG ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -75.87 -12.98 60.26 Favored 'General case' 0 C--O 1.212 -0.898 0 O-C-N 121.891 -0.506 . . . . 0.0 110.512 176.214 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.779 ' HA ' HD12 ' A' ' 75' ' ' LEU . 11.2 t-160 -77.3 -18.14 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.817 0.818 . . . . 0.0 108.829 172.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.7 m -92.54 2.3 56.77 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.636 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -135.03 21.61 3.49 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 122.919 1.343 . . . . 0.0 107.796 177.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -90.21 106.05 18.23 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.443 177.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.31 160.16 28.02 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.633 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 2.6 ttmp? -48.82 -46.88 42.56 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 123.557 0.743 . . . . 0.0 111.965 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.423 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -60.47 -35.83 76.82 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.559 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -79.68 -36.63 37.37 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.891 -171.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 73.7 mt -64.97 -47.07 89.61 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.802 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 69.6 mt -57.94 -48.85 78.7 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.663 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 30.7 tt0 -59.83 -41.07 90.52 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.781 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.4 tpp -63.79 -35.08 79.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.728 0.775 . . . . 0.0 109.02 -172.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.557 HG23 HD11 ' A' ' 61' ' ' ILE . 8.4 m -72.45 -43.81 63.25 Favored 'General case' 0 N--CA 1.425 -1.705 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.325 178.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 81' ' ' LEU . 50.6 t -62.24 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.474 0.654 . . . . 0.0 109.844 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 47.2 mtmt -63.21 -44.06 96.37 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.848 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.664 ' CD2' HD21 ' A' ' 65' ' ' LEU . 11.8 t-160 -66.47 -28.91 68.95 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.06 178.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.32 -45.69 92.09 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -69.51 -29.8 67.5 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.745 176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 93.5 m-20 -62.57 -44.09 97.2 Favored 'General case' 0 CA--C 1.49 -1.344 0 CA-C-O 121.054 0.454 . . . . 0.0 110.29 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 92.6 mt -68.41 -43.89 76.21 Favored 'General case' 0 N--CA 1.427 -1.621 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.412 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -64.67 -24.78 67.69 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 90' ' ' ASN . 5.4 ppt_? -89.04 -8.53 53.8 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.986 0.422 . . . . 0.0 111.501 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.93 -11.24 59.81 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 121.822 0.82 . . . . 0.0 110.851 -177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.418 HE22 HD22 ' B' ' 91' ' ' LEU . 21.4 mt-30 . . . . . 0 N--CA 1.418 -2.057 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.582 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 17.2 tpt . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 119.799 -0.144 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.69 85.34 0.15 Allowed Pre-proline 0 C--N 1.347 0.458 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -62.53 111.04 1.2 Allowed 'Trans proline' 0 C--O 1.239 0.573 0 C-N-CA 122.723 2.282 . . . . 0.0 113.57 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -144.68 -66.0 0.34 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 86.3 m -158.09 134.09 9.25 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -37.53 87.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 111.378 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.8 p -89.76 36.47 0.85 Allowed 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 121.213 0.53 . . . . 0.0 110.212 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' B' ' 34' ' ' HIS . 8.3 pt-20 -57.37 -52.36 65.67 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 124.077 0.951 . . . . 0.0 112.598 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.479 ' H ' ' HG3' ' B' ' 33' ' ' GLU . 58.8 m80 -111.05 164.61 12.65 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 66.32 86.05 0.14 Allowed 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -169.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -65.54 102.11 0.68 Allowed 'General case' 0 CA--C 1.492 -1.257 0 CA-C-O 122.598 1.19 . . . . 0.0 109.593 -176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.5 p -111.96 8.09 20.15 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.671 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.1 m 66.96 -169.51 0.2 Allowed 'General case' 0 C--O 1.244 0.791 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -105.47 122.86 41.37 Favored Pre-proline 0 C--N 1.29 -2.0 0 O-C-N 121.469 -0.769 . . . . 0.0 110.768 176.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.492 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 23.0 Cg_endo -61.67 -37.03 71.81 Favored 'Trans proline' 0 CA--C 1.511 -0.657 0 C-N-CA 123.533 2.822 . . . . 0.0 111.373 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.589 ' O ' ' HG3' ' B' ' 45' ' ' ARG . 10.0 tt -71.68 -45.61 65.81 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.26 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.806 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 24.7 mmt -65.33 -41.44 93.94 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.29 -27.4 64.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.12 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -75.98 -37.16 58.84 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.841 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' B' ' 41' ' ' ILE . 62.8 mtp180 -64.73 -42.24 95.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.314 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.591 ' O ' HG13 ' B' ' 50' ' ' ILE . 27.7 ttm180 -60.59 -53.01 62.68 Favored 'General case' 0 C--O 1.208 -1.114 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' B' ' 50' ' ' ILE . 39.3 ttm180 -52.69 -47.71 67.05 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.804 1.242 . . . . 0.0 111.562 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' B' ' 52' ' ' GLU . . . -58.29 -50.62 72.95 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.016 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -61.98 -31.83 72.23 Favored 'General case' 0 C--O 1.218 -0.589 0 O-C-N 123.32 0.387 . . . . 0.0 111.781 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.591 HG13 ' O ' ' B' ' 46' ' ' ARG . 88.5 mt -60.46 -52.63 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -61.17 -48.14 82.95 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' B' ' 48' ' ' ALA . 25.7 mm-40 -60.52 -41.23 93.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -177.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 18.2 m -77.32 -35.97 54.41 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.973 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' B' ' 50' ' ' ILE . 1.0 OUTLIER -72.05 -35.46 69.33 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.488 0.661 . . . . 0.0 109.381 -176.537 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.0 p -69.87 -49.68 49.94 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.299 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.82 -32.98 74.92 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.731 0.301 . . . . 0.0 110.249 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.491 HD21 ' OG1' ' B' ' 84' ' ' THR . 7.8 tt -58.08 -58.5 8.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 176.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -52.73 -43.8 65.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.639 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.2 m -59.31 -55.41 35.17 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.585 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.03 -32.44 67.13 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' B' ' 83' ' ' MET . 23.7 mm -68.62 -50.41 56.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.39 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.93 -25.11 66.99 Favored 'General case' 0 C--O 1.2 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.87 -32.45 61.89 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.557 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 -38.55 21.0 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-O 121.075 0.464 . . . . 0.0 109.978 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 61' ' ' ILE . 13.9 mt -88.2 -38.25 15.44 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 120.211 -0.595 . . . . 0.0 109.923 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 49.78 68.31 0.76 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.713 1.258 . . . . 0.0 111.178 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.581 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 93.2 mttt -66.32 -57.11 8.19 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.777 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.409 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.8 t70 177.44 151.91 0.22 Allowed 'General case' 0 CA--C 1.477 -1.854 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -82.74 -28.17 30.62 Favored 'General case' 0 N--CA 1.399 -2.994 0 O-C-N 123.617 0.573 . . . . 0.0 110.248 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 51.2 m -70.96 -36.06 72.42 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.382 0.61 . . . . 0.0 110.222 179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.409 ' HG3' ' HB3' ' B' ' 68' ' ' ASP . 0.0 OUTLIER -87.16 -6.56 58.58 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.483 -178.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -70.47 -22.71 62.64 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 21.5 m -88.29 14.98 8.31 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 121.489 0.661 . . . . 0.0 110.879 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.602 ' HE2' ' O ' ' B' ' 74' ' ' LYS . 0.1 OUTLIER -143.64 84.47 1.8 Allowed 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 175.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.4 mm? -122.82 121.98 37.55 Favored 'General case' 0 C--N 1.262 -3.232 0 CA-C-O 121.608 0.718 . . . . 0.0 110.684 177.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.449 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 33.8 mt-10 -90.81 149.44 21.98 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 32.9 ttmt -52.62 -45.0 66.41 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.172 0.51 . . . . 0.0 110.671 177.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.82 -30.28 69.99 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.303 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' B' ' 83' ' ' MET . 11.2 t70 -76.97 -41.28 43.66 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -174.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.446 HG22 HD22 ' B' ' 57' ' ' LEU . 53.6 mt -64.94 -51.86 61.38 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 113.75 -1.568 . . . . 0.0 110.046 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 86.6 mt -56.0 -49.28 74.08 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 124.043 0.839 . . . . 0.0 109.571 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 31.5 tt0 -61.67 -39.26 90.76 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.377 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.581 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 72.8 mtm -56.89 -45.96 82.23 Favored 'General case' 0 C--N 1.342 0.253 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.491 ' OG1' HD21 ' B' ' 57' ' ' LEU . 0.1 OUTLIER -59.11 -48.72 80.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.923 0.392 . . . . 0.0 111.406 178.401 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.494 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.2 t -64.41 -44.51 97.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.894 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -67.28 -39.38 86.04 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 122.057 -0.402 . . . . 0.0 111.273 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -67.64 -27.35 66.8 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 6.0 tt -60.96 -46.41 90.82 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 175.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -58.05 -46.49 85.28 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -55.68 -51.68 66.46 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 124.198 0.936 . . . . 0.0 111.075 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 94.8 mt -67.56 -32.89 73.97 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.553 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -72.86 -14.45 61.5 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.788 0.328 . . . . 0.0 111.716 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.42 11.17 14.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 0.0 109.994 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.28 27.95 3.07 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.114 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 . . . . . 0 C--O 1.259 1.597 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -176.104 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 CA--C 1.502 -0.866 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -83.68 155.63 65.22 Favored Pre-proline 0 C--N 1.311 -1.076 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.23 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.355 0.904 0 C-N-CA 123.153 2.569 . . . . 0.0 111.762 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -85.51 26.28 0.95 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.251 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -64.01 -27.29 69.02 Favored 'General case' 0 C--O 1.246 0.915 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.34 83.72 5.51 Favored 'General case' 0 N--CA 1.419 -2.001 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 m -69.15 -15.15 63.35 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.3 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.94 -30.64 71.72 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.287 175.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -94.12 98.43 10.98 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -77.5 163.18 26.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.231 0.538 . . . . 0.0 111.365 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.71 107.54 7.5 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -178.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -80.41 -175.57 5.22 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.724 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 m 71.9 179.55 0.23 Allowed 'General case' 0 C--O 1.251 1.157 0 C-N-CA 124.078 0.951 . . . . 0.0 111.427 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -97.28 126.08 43.18 Favored Pre-proline 0 N--CA 1.422 -1.842 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.43 178.416 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 12.5 Cg_endo -58.38 -36.07 97.98 Favored 'Trans proline' 0 C--O 1.209 -0.973 0 C-N-CA 123.145 2.563 . . . . 0.0 112.167 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.3 tt -73.86 -45.25 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.806 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 95.5 mmm -66.31 -44.06 84.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.81 0.338 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 12.0 pt-20 -75.61 -18.94 59.55 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.261 -178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 39.4 ttpt -70.69 -43.25 69.44 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -62.96 -41.16 99.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.366 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' O ' HG13 ' A' ' 50' ' ' ILE . 46.5 ttp180 -60.77 -54.2 48.04 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.224 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.8 ttp180 -58.8 -39.03 79.92 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.792 -178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -60.81 -46.75 89.29 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -60.36 -37.12 79.71 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.779 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 47' ' ' ARG . 79.3 mt -55.26 -56.87 9.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -59.18 -45.91 89.8 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.633 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 23.7 mm-40 -59.0 -37.99 78.15 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.8 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.0 m -76.45 -44.13 36.98 Favored 'General case' 0 N--CA 1.424 -1.774 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.459 -178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.41 -36.95 85.5 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 121.209 0.528 . . . . 0.0 109.738 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -61.22 -50.96 70.96 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.378 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -72.97 -29.17 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.54 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.15 -58.49 8.21 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.117 0.967 . . . . 0.0 110.145 177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 pttt -60.82 -35.5 76.66 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 123.156 0.285 . . . . 0.0 111.168 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -63.47 -52.97 59.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 123.404 0.44 . . . . 0.0 111.07 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.55 -32.19 69.53 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.3 mm -67.52 -52.05 45.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.276 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' HG ' ' ND1' ' A' ' 72' ' ' HIS . 0.6 OUTLIER -60.91 -33.19 72.76 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -177.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.642 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 1.3 t70 -80.78 -28.34 36.41 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.343 -176.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.18 -34.33 37.6 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 118.857 -1.137 . . . . 0.0 111.174 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 65' ' ' LEU . 4.7 mp -92.57 -24.27 18.78 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 119.801 -0.76 . . . . 0.0 109.425 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.642 ' HE3' ' HA ' ' A' ' 63' ' ' ASP . 9.7 mmpt? 59.18 64.06 1.46 Allowed 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 122.532 1.158 . . . . 0.0 109.803 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HE3' ' SD ' ' A' ' 83' ' ' MET . 70.0 mmtt -71.47 -78.99 0.07 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 112.825 -1.988 . . . . 0.0 111.273 -177.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -178.95 153.23 0.62 Allowed 'General case' 0 CA--C 1.466 -2.286 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.4 m -77.01 -28.83 55.15 Favored 'General case' 0 N--CA 1.403 -2.822 0 O-C-N 123.771 0.669 . . . . 0.0 111.236 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.0 t -70.12 -40.75 74.7 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -82.05 -3.16 53.99 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -178.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' ND1' ' HG ' ' A' ' 62' ' ' LEU . 3.4 t-160 -78.4 -40.76 35.09 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 170.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.4 m -83.31 -1.14 52.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-O 122.86 1.314 . . . . 0.0 110.46 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -122.64 58.95 1.06 Allowed 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 122.86 1.314 . . . . 0.0 107.587 175.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 13.8 mt -121.66 108.03 13.06 Favored 'General case' 0 N--CA 1.404 -2.771 0 CA-C-N 112.718 -2.037 . . . . 0.0 110.182 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 80' ' ' ILE . 6.2 mm-40 -78.8 152.19 31.51 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 174.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 33.0 ttmt -49.0 -44.5 41.28 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.36 0.6 . . . . 0.0 112.222 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.472 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -64.8 -28.87 69.87 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.198 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.29 -34.8 42.14 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-O 121.91 0.862 . . . . 0.0 108.699 -174.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 53.3 mt -72.68 -50.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.1 -1.409 . . . . 0.0 110.251 -179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 85' ' ' VAL . 75.1 mt -57.55 -52.93 63.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.052 0.453 . . . . 0.0 110.049 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 22.4 tt0 -60.5 -35.49 76.06 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.289 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.494 ' SD ' ' HE3' ' A' ' 67' ' ' LYS . 2.1 tpt -69.18 -33.6 73.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.672 0.748 . . . . 0.0 109.818 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.1 m -72.22 -42.3 65.91 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.728 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.75 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 27.2 t -68.65 -43.58 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.729 0.776 . . . . 0.0 109.923 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 71.2 mttt -67.13 -30.33 70.3 Favored 'General case' 0 N--CA 1.439 -1.014 0 O-C-N 121.972 -0.455 . . . . 0.0 111.348 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -72.14 -29.52 64.12 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.264 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 2.6 pp -66.84 -35.42 80.01 Favored 'General case' 0 C--O 1.201 -1.48 0 C-N-CA 119.27 -0.972 . . . . 0.0 109.306 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -58.75 -47.59 84.14 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.12 -52.17 65.31 Favored 'General case' 0 CA--C 1.514 -0.44 0 O-C-N 123.981 0.8 . . . . 0.0 110.218 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 96.5 mt -70.92 -21.32 62.38 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -75.53 -40.34 57.1 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 118.013 0.37 . . . . 0.0 110.777 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.91 6.73 40.7 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.061 0.458 . . . . 0.0 112.009 -176.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.11 -7.38 55.67 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.11 0.481 . . . . 0.0 111.149 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 CA-C-N 115.182 -0.917 . . . . 0.0 108.891 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.507 -0.696 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.75 153.58 93.2 Favored Pre-proline 0 C--O 1.247 0.947 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.305 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -68.76 86.74 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 122.136 1.891 . . . . 0.0 111.114 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -72.34 88.67 1.19 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.942 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m -142.88 70.22 1.32 Allowed 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 172.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -179.67 -168.33 0.11 Allowed 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 111.843 -2.435 . . . . 0.0 104.717 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 22.5 m -65.73 -80.56 0.04 OUTLIER 'General case' 0 C--N 1.307 -1.271 0 O-C-N 123.485 0.491 . . . . 0.0 111.843 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -150.85 19.03 0.79 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.959 0.885 . . . . 0.0 109.634 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -162.91 179.83 7.3 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -75.02 114.15 13.17 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -79.08 89.18 4.8 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-O 122.791 1.281 . . . . 0.0 108.859 -177.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.7 m -149.55 30.97 0.74 Allowed 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 113.645 -1.616 . . . . 0.0 108.385 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.5 m -66.26 -21.29 66.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.264 0.554 . . . . 0.0 112.35 -172.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -94.88 121.81 61.83 Favored Pre-proline 0 C--N 1.298 -1.662 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.43 ' HA ' ' HG2' ' B' ' 43' ' ' GLU . 8.7 Cg_endo -63.92 -31.74 66.7 Favored 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.367 2.045 . . . . 0.0 110.563 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 tt -68.27 -40.64 82.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.623 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 26.0 mmt -72.18 -41.59 66.83 Favored 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.42 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.557 ' O ' ' HG3' ' B' ' 47' ' ' ARG . 4.8 pt-20 -72.21 -26.11 61.92 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.456 -0.897 . . . . 0.0 110.186 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.57 -38.77 87.79 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -66.03 -40.93 91.44 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.345 176.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.598 ' O ' HG13 ' B' ' 50' ' ' ILE . 28.7 ttm180 -57.71 -52.87 63.69 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' B' ' 43' ' ' GLU . 58.8 mtt180 -53.85 -46.05 71.13 Favored 'General case' 0 CA--C 1.502 -0.87 0 C-N-CA 123.065 0.546 . . . . 0.0 111.68 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.611 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.14 -51.43 68.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -62.99 -35.32 79.8 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.664 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.598 HG13 ' O ' ' B' ' 46' ' ' ARG . 85.2 mt -61.3 -53.42 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.159 0.584 . . . . 0.0 109.869 176.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -61.09 -45.68 93.7 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.171 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 45.7 mt-10 -60.3 -42.96 96.62 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.152 0.907 . . . . 0.0 112.178 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 17.8 p -75.08 -43.03 55.47 Favored 'General case' 0 N--CA 1.425 -1.714 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.303 -175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.59 -38.71 91.2 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.6 t -59.76 -57.03 14.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.467 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.73 -25.69 63.05 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.326 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.28 -58.56 7.69 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 123.53 0.732 . . . . 0.0 109.914 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.75 -34.69 78.45 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.07 0.462 . . . . 0.0 110.672 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.5 m -67.22 -45.75 75.89 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.372 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.48 -36.4 68.42 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.166 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.04 -49.2 84.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-O 120.833 0.349 . . . . 0.0 110.995 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 0.6 OUTLIER -66.89 -26.34 66.83 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -178.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.423 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 11.9 t70 -80.92 -28.45 35.79 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.418 0.627 . . . . 0.0 110.976 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -38.39 23.74 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 122.026 -0.421 . . . . 0.0 110.423 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' B' ' 87' ' ' HIS . 6.7 mp -90.89 -37.8 13.32 Favored 'General case' 0 C--N 1.306 -1.312 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.011 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.423 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 34.6 mtmt 53.55 67.37 1.01 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 122.539 1.161 . . . . 0.0 112.048 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.0 -70.84 0.53 Allowed 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.782 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -171.31 143.86 1.92 Allowed 'General case' 0 CA--C 1.476 -1.88 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.7 m -83.37 -19.64 35.71 Favored 'General case' 0 N--CA 1.408 -2.561 0 O-C-N 123.458 0.473 . . . . 0.0 109.939 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -66.73 -33.61 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.781 0.801 . . . . 0.0 109.432 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -92.12 -6.35 50.99 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.04 179.778 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.439 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 14.6 t-160 -82.85 -42.88 17.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.032 0.933 . . . . 0.0 108.53 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 19.8 m -74.21 3.91 6.47 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.615 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.4 OUTLIER -129.62 16.46 5.9 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 122.369 1.08 . . . . 0.0 108.868 179.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 30.9 mt -73.83 121.5 20.98 Favored 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.083 -178.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.505 ' HB2' ' OD2' ' B' ' 79' ' ' ASP . 76.9 mm-40 -93.0 160.13 15.01 Favored 'General case' 0 N--CA 1.415 -2.18 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.158 175.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.414 ' O ' HD13 ' B' ' 81' ' ' LEU . 34.3 ttmt -51.22 -47.2 62.39 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 123.767 0.827 . . . . 0.0 112.015 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.89 -31.7 68.83 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.072 178.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' B' ' 76' ' ' GLU . 22.9 m-20 -78.76 -44.49 23.21 Favored 'General case' 0 CA--C 1.485 -1.556 0 CA-C-O 121.639 0.733 . . . . 0.0 109.479 -174.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.442 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 76.2 mt -62.88 -51.46 71.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.363 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.517 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.6 mp -53.81 -52.71 59.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 O-C-N 123.657 0.598 . . . . 0.0 110.96 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.668 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 23.6 tt0 -59.47 -41.58 90.06 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.117 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 42.5 ttm -64.7 -35.28 80.54 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.559 0.695 . . . . 0.0 110.089 -172.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 11.3 m -70.64 -42.78 70.4 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.362 -1.29 . . . . 0.0 110.073 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 60.3 t -65.64 -43.41 93.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 109.79 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 46.6 mtmt -62.43 -40.88 98.01 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.241 179.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' B' ' 65' ' ' LEU . 68.7 t60 -63.54 -34.14 77.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.79 0.329 . . . . 0.0 110.235 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 20.8 tp -55.66 -47.66 76.32 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.469 175.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.436 ' NH2' ' HG2' ' B' ' 86' ' ' LYS . 0.0 OUTLIER -65.39 -38.91 91.43 Favored 'General case' 0 CA--C 1.496 -1.107 0 C-N-CA 118.975 -1.09 . . . . 0.0 111.282 178.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -57.6 -50.71 72.24 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.699 0.624 . . . . 0.0 110.223 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 96.7 mt -67.09 -30.42 70.44 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.812 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -76.03 -18.77 59.11 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.93 5.09 14.98 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.022 -0.424 . . . . 0.0 111.563 -174.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.97 -11.75 60.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.583 0.706 . . . . 0.0 110.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.413 -2.275 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -115.5 101.46 54.27 Favored Pre-proline 0 C--N 1.316 -0.864 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.05 151.79 14.14 Favored 'Trans proline' 0 N--CA 1.445 -1.333 0 C-N-CA 122.056 1.837 . . . . 0.0 112.098 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -101.41 -4.58 26.65 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.657 0.742 . . . . 0.0 110.0 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -84.17 97.9 9.63 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.67 97.72 8.04 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.338 0.59 . . . . 0.0 110.132 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m -109.93 152.17 26.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.381 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 55.17 81.79 0.11 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.557 1.143 . . . . 0.0 113.766 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -88.87 91.63 8.9 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 35' ' ' ARG . 25.3 mmt180 -113.43 117.17 30.98 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.82 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.653 ' HD3' ' OE1' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -104.91 147.04 28.19 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.074 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -130.97 -166.76 1.74 Allowed 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.2 t -87.28 -30.53 20.82 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 8.5 mmpt? -105.79 134.77 19.57 Favored Pre-proline 0 C--N 1.296 -1.728 0 CA-C-N 114.443 -1.253 . . . . 0.0 110.361 177.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -64.0 -37.1 45.23 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 122.689 2.26 . . . . 0.0 110.364 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 6.9 tt -65.5 -44.75 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.619 178.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mmt -63.45 -43.98 95.82 Favored 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.653 ' OE1' ' HD3' ' A' ' 36' ' ' LYS . 12.9 pt-20 -72.23 -24.55 61.4 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.799 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -75.26 -46.15 35.52 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 45.2 mtp180 -64.49 -41.26 96.57 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.014 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.562 ' O ' HG13 ' A' ' 50' ' ' ILE . 35.7 ttm180 -58.69 -56.94 15.67 Favored 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.227 176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.506 ' HA ' HD12 ' A' ' 50' ' ' ILE . 52.8 ttt180 -60.84 -42.62 98.15 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 123.172 0.589 . . . . 0.0 111.841 -175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.1 -50.24 74.8 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 123.637 0.585 . . . . 0.0 109.527 177.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -67.43 -29.07 68.45 Favored 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.1 mt -59.73 -53.27 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 174.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -65.42 -47.32 76.63 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.126 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 33.5 mt-10 -63.86 -37.02 85.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 m -77.3 -36.01 54.48 Favored 'General case' 0 C--O 1.212 -0.886 0 C-N-CA 120.286 -0.565 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.12 -32.97 69.66 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.887 0.851 . . . . 0.0 108.956 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 p -72.73 -43.66 62.68 Favored 'General case' 0 N--CA 1.426 -1.629 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.166 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 11.4 pt20 -68.56 -31.57 70.88 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.525 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.63 -58.72 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 124.201 1.0 . . . . 0.0 110.524 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -60.75 -32.48 71.77 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.879 0.371 . . . . 0.0 110.736 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -66.48 -53.24 37.42 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.716 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 56' ' ' GLN . 83.3 mt -67.05 -39.82 87.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.397 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 35.1 mm -59.97 -54.06 39.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.235 0.541 . . . . 0.0 110.581 177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp -68.08 -26.18 65.7 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.046 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -81.63 -25.65 35.46 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-O 121.054 0.454 . . . . 0.0 111.092 -177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.02 -34.62 24.27 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.832 0.825 . . . . 0.0 109.674 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 61' ' ' ILE . 17.6 mt -93.23 -38.19 11.67 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.725 -174.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt 51.26 65.05 1.6 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-O 122.337 1.065 . . . . 0.0 111.125 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -86.1 -80.16 0.24 Allowed 'General case' 0 N--CA 1.414 -2.273 0 CA-C-N 114.19 -1.368 . . . . 0.0 109.141 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.54 131.92 12.9 Favored 'General case' 0 CA--C 1.486 -1.517 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m -79.99 -15.73 56.64 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 114.555 -1.202 . . . . 0.0 108.958 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 m -70.95 -33.31 70.35 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.866 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -86.95 -20.17 27.71 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 121.269 0.557 . . . . 0.0 109.967 176.59 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.437 ' HA ' HD12 ' A' ' 75' ' ' LEU . 40.3 t-80 -71.53 145.46 49.1 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 171.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m 72.2 1.15 3.83 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.185 0.993 . . . . 0.0 111.497 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.613 ' HA ' ' HE3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -131.32 21.48 4.79 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 172.436 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 71' ' ' ARG . 11.7 mt -93.9 116.13 28.56 Favored 'General case' 0 N--CA 1.414 -2.257 0 CA-C-N 112.588 -2.096 . . . . 0.0 109.184 179.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.87 153.89 28.74 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 31.4 ttmt -49.61 -50.18 43.81 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.3 0.64 . . . . 0.0 112.268 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.91 -28.0 69.22 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.926 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -40.12 30.72 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.49 -0.777 . . . . 0.0 108.99 -173.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 59.0 mt -67.73 -47.82 78.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.08 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.305 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 82.3 mt -53.79 -52.91 58.75 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.754 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 23.1 tt0 -63.04 -34.8 78.35 Favored 'General case' 0 C--O 1.204 -1.304 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.999 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.61 -31.32 71.27 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -175.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.481 HG23 HD11 ' A' ' 61' ' ' ILE . 19.4 m -75.86 -46.93 27.64 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.936 178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.715 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 51.9 t -62.51 -43.84 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.282 0.563 . . . . 0.0 109.841 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.556 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 69.2 mttt -64.64 -32.55 74.26 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.638 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.585 ' ND1' HD21 ' A' ' 65' ' ' LEU . 50.8 t60 -66.49 -34.37 77.77 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.637 177.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 85' ' ' VAL . 3.6 pp -72.53 -28.5 62.89 Favored 'General case' 0 C--O 1.202 -1.444 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.125 -178.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 86' ' ' LYS . 10.9 mmm-85 -67.32 -42.58 83.38 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -61.25 -43.71 98.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.196 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.41 HD13 ' HB2' ' B' ' 91' ' ' LEU . 87.3 mt -64.41 -46.27 83.97 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.962 176.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 92' ' ' GLN . 12.8 mm-40 -63.41 -28.59 70.09 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -175.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.25 -12.76 57.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.001 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.77 -28.01 33.48 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.933 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.427 -1.586 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.958 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 20.6 ptp . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.25 155.42 58.56 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.13 165.47 30.15 Favored 'Trans proline' 0 C--O 1.245 0.855 0 C-N-CA 122.615 2.21 . . . . 0.0 111.852 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -141.29 134.49 29.41 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.005 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.1 p -66.33 166.16 12.73 Favored 'General case' 0 C--O 1.251 1.136 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.63 -159.15 0.94 Allowed 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.38 0.672 . . . . 0.0 109.37 -177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.8 m 74.87 163.69 0.27 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.691 1.197 . . . . 0.0 111.705 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.404 ' CD ' ' HD1' ' B' ' 34' ' ' HIS 0.332 0.0 OUTLIER -99.1 -44.48 6.27 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -177.202 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . 0.404 ' HD1' ' CD ' ' B' ' 33' ' ' GLU . 46.6 p-80 -130.26 117.82 20.41 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.446 -0.901 . . . . 0.0 111.122 175.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -137.47 150.85 47.89 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -138.51 68.96 1.38 Allowed 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.573 1.178 . . . . 0.0 109.246 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' B' ' 43' ' ' GLU . 73.6 m -163.35 159.72 22.81 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 111.868 -2.424 . . . . 0.0 106.381 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -101.38 -26.79 13.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 122.595 1.188 . . . . 0.0 109.84 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.485 ' HG3' HG22 ' B' ' 41' ' ' ILE 0.303 1.4 tpmt? -98.47 122.42 53.65 Favored Pre-proline 1 N--CA 1.364 -4.774 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.417 -169.698 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' B' ' 39' ' ' LYS . 11.3 Cg_endo -57.35 -26.61 71.56 Favored 'Trans proline' 0 C--O 1.214 -0.677 0 C-N-CA 123.985 3.123 . . . . 0.0 113.489 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.485 HG22 ' HG3' ' B' ' 39' ' ' LYS . 10.5 tt -77.76 -41.46 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.949 -0.701 . . . . 0.0 110.47 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.41 ' HG2' ' HG2' ' B' ' 39' ' ' LYS . 93.9 mmm -64.28 -43.87 93.44 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.053 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' B' ' 40' ' ' PRO . 12.7 pt-20 -69.56 -32.2 70.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.384 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -67.92 -48.35 66.2 Favored 'General case' 0 CA--C 1.505 -0.75 0 O-C-N 123.478 0.486 . . . . 0.0 110.166 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -56.97 -45.11 83.12 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.28 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.549 ' O ' HG13 ' B' ' 50' ' ' ILE . 46.8 ttm180 -63.27 -53.5 51.9 Favored 'General case' 0 C--O 1.203 -1.393 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.929 178.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -51.83 -53.05 44.7 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 124.749 1.22 . . . . 0.0 111.901 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.92 92.07 Favored 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 122.553 0.341 . . . . 0.0 110.394 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -63.45 -35.26 79.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.151 0.282 . . . . 0.0 110.373 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.549 HG13 ' O ' ' B' ' 46' ' ' ARG . 96.9 mt -59.45 -59.68 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -57.33 -46.21 83.48 Favored 'General case' 0 CA--C 1.5 -0.978 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.19 -177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -67.98 -35.25 78.05 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -74.75 -37.75 62.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 119.851 -0.739 . . . . 0.0 109.661 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tt -68.62 -34.93 76.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -67.93 -49.46 61.66 Favored 'General case' 0 N--CA 1.438 -1.066 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.086 -179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -68.11 -29.63 68.6 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 120.446 -0.502 . . . . 0.0 109.924 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.46 ' O ' HG12 ' B' ' 61' ' ' ILE . 6.7 tt -55.96 -58.5 7.64 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 124.279 1.032 . . . . 0.0 110.846 177.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.568 ' HB3' HG23 ' B' ' 80' ' ' ILE . 0.1 OUTLIER -63.55 -30.32 71.45 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.131 0.491 . . . . 0.0 111.825 179.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.42 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 89.1 m -67.6 -51.77 46.34 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.35 -32.77 73.1 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.506 HD11 HG23 ' B' ' 84' ' ' THR . 37.3 mm -63.78 -55.24 23.63 Favored 'Isoleucine or valine' 0 C--O 1.246 0.879 0 CA-C-O 121.365 0.602 . . . . 0.0 110.15 177.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.65 -19.52 65.78 Favored 'General case' 0 C--O 1.181 -2.534 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.116 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -77.65 -32.35 53.22 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-O 121.031 0.443 . . . . 0.0 111.751 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.54 -32.14 26.02 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-O 121.681 0.753 . . . . 0.0 110.002 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.493 HD13 ' HE3' ' B' ' 67' ' ' LYS . 8.2 mt -102.01 -39.8 7.15 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 114.766 -1.106 . . . . 0.0 111.289 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt 50.17 40.6 22.32 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.917 0.887 . . . . 0.0 110.982 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.493 ' HE3' HD13 ' B' ' 65' ' ' LEU . 89.9 mttt -55.6 -62.82 1.43 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.865 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' B' ' 70' ' ' SER . 30.7 t70 -162.03 135.09 6.09 Favored 'General case' 0 CA--C 1.469 -2.156 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -177.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.5 m -87.66 -15.43 37.22 Favored 'General case' 0 N--CA 1.401 -2.888 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.626 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . 0.478 ' HB3' ' OD2' ' B' ' 68' ' ' ASP . 14.5 t -70.08 -45.18 67.55 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -75.16 -20.86 59.15 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.647 177.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -69.45 -28.55 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 173.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 27.4 m -90.95 15.71 10.92 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.904 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.69 71.78 0.83 Allowed 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.508 ' HB3' ' CG1' ' B' ' 80' ' ' ILE . 21.2 mt -116.55 117.92 31.2 Favored 'General case' 0 N--CA 1.395 -3.187 0 CA-C-N 113.899 -1.501 . . . . 0.0 111.602 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -80.65 151.73 28.83 Favored 'General case' 0 C--N 1.282 -2.335 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.514 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 31.8 ttmt -52.63 -42.86 65.0 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.398 0.618 . . . . 0.0 111.319 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.75 -35.38 72.65 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.547 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -78.87 -39.78 34.29 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 122.002 0.906 . . . . 0.0 108.594 -173.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.568 HG23 ' HB3' ' B' ' 58' ' ' LYS . 76.8 mt -63.51 -51.49 69.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.068 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.535 ' O ' HG23 ' B' ' 85' ' ' VAL . 83.4 mt -57.84 -47.7 81.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 19.8 tt0 -58.85 -41.92 88.1 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 114.8 -1.091 . . . . 0.0 112.564 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.454 ' HG3' HG21 ' B' ' 61' ' ' ILE . 36.0 tpp -68.99 -29.51 67.73 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.71 0.767 . . . . 0.0 109.622 -174.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.506 HG23 HD11 ' B' ' 61' ' ' ILE . 20.9 m -75.05 -45.47 41.34 Favored 'General case' 0 C--N 1.302 -1.494 0 CA-C-N 114.697 -1.138 . . . . 0.0 110.072 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 68.9 t -65.68 -42.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.915 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 44.6 mttm -63.12 -36.86 84.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.077 0.465 . . . . 0.0 111.306 178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -66.86 -34.29 77.47 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.561 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 3.1 pp -67.64 -33.54 75.17 Favored 'General case' 0 C--O 1.204 -1.327 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.123 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -57.67 -48.99 77.98 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -54.1 -54.36 40.54 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.965 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.41 ' HB2' HD13 ' A' ' 91' ' ' LEU . 95.6 mt -68.27 -17.42 64.28 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.401 -178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -82.95 -39.01 21.97 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.94 7.83 36.75 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 118.657 -1.217 . . . . 0.0 111.113 -172.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.24 -5.89 42.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.71 0.767 . . . . 0.0 109.897 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.1 ttm . . . . . 0 C--O 1.236 0.385 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -73.66 150.34 88.73 Favored Pre-proline 0 C--N 1.314 -0.978 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.667 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.34 -41.93 63.65 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 123.324 2.683 . . . . 0.0 112.842 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -93.79 86.33 5.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.191 0.519 . . . . 0.0 110.389 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.4 m -137.17 -58.31 0.71 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.99 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.1 21.7 16.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.85 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 t -88.96 106.59 18.52 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.13 140.11 39.02 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.538 -0.756 . . . . 0.0 112.284 -176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -75.09 100.27 4.18 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.662 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -107.42 -47.34 3.66 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -155.57 92.35 1.39 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 173.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.8 m -153.61 150.25 28.44 Favored 'General case' 0 C--N 1.287 -2.118 0 CA-C-N 114.264 -1.334 . . . . 0.0 108.934 -176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 t -170.04 -40.53 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.999 0.904 . . . . 0.0 108.691 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -101.07 117.81 61.6 Favored Pre-proline 0 C--N 1.287 -2.152 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.047 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -70.24 -31.8 17.72 Favored 'Trans proline' 0 CA--C 1.516 -0.388 0 C-N-CA 122.766 2.311 . . . . 0.0 111.178 -172.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 tt -78.39 -41.06 25.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.392 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.2 mmt -65.88 -42.95 89.68 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.531 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.55 -34.43 75.83 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.755 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -67.98 -47.13 69.41 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -53.82 -52.85 59.03 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.053 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.3 ttm180 -68.56 -48.23 64.79 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.244 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' ILE . 79.1 ttt180 -53.28 -48.8 68.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.461 0.704 . . . . 0.0 111.685 -178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -60.69 -49.2 78.45 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.162 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -63.23 -33.24 75.07 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 46' ' ' ARG . 96.7 mt -57.36 -55.43 20.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.96 -45.62 91.61 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.65 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 54.7 mt-10 -63.26 -37.93 89.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 m -76.07 -39.86 54.45 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.273 -178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tt -65.5 -37.03 85.6 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 t -58.07 -54.79 42.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.797 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -70.17 -31.45 68.94 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.89 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tt -57.23 -59.87 4.46 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.349 0.659 . . . . 0.0 110.372 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -64.96 -27.71 69.02 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 97.0 m -66.98 -51.32 56.52 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.485 178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.91 -31.83 64.91 Favored 'General case' 0 C--O 1.212 -0.876 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 61' ' ' ILE . 18.6 mm -64.52 -35.83 75.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 CA-C-O 121.687 0.756 . . . . 0.0 110.952 176.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -75.4 -38.89 59.63 Favored 'General case' 0 C--O 1.192 -1.944 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.516 179.135 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.85 -29.16 61.97 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.368 0.604 . . . . 0.0 112.025 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.13 -39.38 33.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 122.087 -0.383 . . . . 0.0 110.044 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.0 mp -91.37 -30.69 16.39 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 119.414 -0.915 . . . . 0.0 112.113 -178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 55.01 38.15 30.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.438 1.095 . . . . 0.0 111.588 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -55.8 -71.83 0.08 Allowed 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 113.785 -1.552 . . . . 0.0 111.951 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -177.4 152.3 0.83 Allowed 'General case' 0 CA--C 1.465 -2.305 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -82.1 -27.63 32.74 Favored 'General case' 0 N--CA 1.408 -2.548 0 O-C-N 124.048 0.842 . . . . 0.0 111.547 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.9 t -69.67 -42.52 74.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.414 0.626 . . . . 0.0 109.323 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.88 -7.61 56.96 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.06 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 15.0 t-160 -89.6 -36.5 15.26 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 24.8 m -70.73 -11.01 60.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.988 0.899 . . . . 0.0 111.579 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -129.34 23.99 5.53 Favored 'General case' 0 C--N 1.287 -2.114 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.693 -179.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.547 ' HG ' HG13 ' A' ' 80' ' ' ILE . 12.7 tp -81.57 115.09 20.69 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.686 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 80' ' ' ILE . 9.9 mm-40 -72.72 146.2 46.63 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.615 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -49.91 -43.51 49.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.261 0.553 . . . . 0.0 111.355 177.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.86 -35.02 70.37 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.553 177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -79.19 -44.89 20.98 Favored 'General case' 0 CA--C 1.479 -1.776 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.417 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.547 HG13 ' HG ' ' A' ' 75' ' ' LEU . 81.4 mt -54.28 -51.96 43.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.227 177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 77' ' ' LYS . 80.9 mt -59.93 -49.7 76.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.739 0.304 . . . . 0.0 110.276 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 21.0 tt0 -58.02 -40.16 80.16 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.624 178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -31.54 71.97 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.326 -173.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 8.9 m -72.68 -38.9 67.43 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.378 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 88' ' ' LEU . 54.7 t -67.51 -44.92 86.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 176.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 66.2 mttt -61.67 -38.57 88.28 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.37 178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -62.38 -35.19 78.41 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.429 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 12.6 tp -61.03 -43.97 98.09 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -65.6 -42.51 91.54 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.592 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -61.82 -42.3 98.85 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.861 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.27 -44.49 68.31 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -64.68 -30.39 71.4 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.158 -176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.0 -4.69 46.13 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.682 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.15 -5.9 50.85 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.526 0.679 . . . . 0.0 110.981 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--N 1.299 -1.605 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.089 -174.746 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.148 0.499 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -117.27 95.25 46.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 169.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.08 -34.21 92.06 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 123.085 2.523 . . . . 0.0 110.632 176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -95.42 97.23 9.66 Favored 'General case' 0 N--CA 1.429 -1.505 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.9 p -63.91 -58.82 5.61 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.027 -173.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.09 -71.46 0.12 Allowed 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.311 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.7 m 54.01 80.76 0.11 Allowed 'General case' 0 C--O 1.245 0.837 0 O-C-N 124.367 1.042 . . . . 0.0 111.071 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 68.02 172.45 0.28 Allowed 'General case' 0 C--O 1.243 0.722 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.599 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 54.68 67.97 0.93 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.036 0.934 . . . . 0.0 110.324 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -122.5 -34.22 3.3 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.983 -176.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -124.02 124.88 43.54 Favored 'General case' 0 N--CA 1.403 -2.797 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 -170.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.2 m 77.22 -45.42 0.47 Allowed 'General case' 0 C--N 1.288 -2.068 0 C-N-CA 124.842 1.257 . . . . 0.0 111.928 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -90.8 120.63 31.99 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.736 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.533 ' HA ' ' HE3' ' B' ' 39' ' ' LYS . 0.0 OUTLIER -106.41 120.68 47.81 Favored Pre-proline 0 C--N 1.279 -2.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.499 171.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' B' ' 39' ' ' LYS . 12.1 Cg_endo -54.09 -40.02 83.28 Favored 'Trans proline' 0 N--CA 1.473 0.298 0 C-N-CA 123.399 2.733 . . . . 0.0 111.847 -174.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 tt -73.21 -44.5 55.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.601 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 95.8 mmm -66.5 -42.15 87.81 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.959 0.409 . . . . 0.0 111.403 -177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 39' ' ' LYS . 12.2 pt-20 -70.63 -29.24 65.55 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.193 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -69.25 -40.44 77.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -60.54 -48.53 81.38 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.521 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.532 ' O ' HG13 ' B' ' 50' ' ' ILE . 14.5 ttt180 -62.63 -50.65 70.38 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.07 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -55.14 -44.71 75.33 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.331 1.052 . . . . 0.0 111.177 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -56.54 -53.85 52.7 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -61.89 -33.43 74.2 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.563 0.539 . . . . 0.0 111.725 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 46' ' ' ARG . 99.0 mt -60.16 -53.27 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -64.77 -42.68 94.92 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.411 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 44.1 mt-10 -60.49 -42.39 96.22 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.457 0.473 . . . . 0.0 111.861 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 23.2 m -74.57 -43.19 56.86 Favored 'General case' 0 N--CA 1.435 -1.186 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.458 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' B' ' 57' ' ' LEU . 3.3 tt -63.67 -42.44 98.07 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.606 0.717 . . . . 0.0 109.94 -178.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 61.2 m -68.66 -41.91 78.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.523 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -70.78 -31.23 67.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.406 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.423 HD21 ' OG1' ' B' ' 84' ' ' THR . 8.9 tt -55.96 -57.35 12.46 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 124.409 1.084 . . . . 0.0 110.358 178.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -61.35 -33.55 73.82 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 31.8 m -66.77 -50.52 62.43 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.07 -29.5 66.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.475 HD11 HG23 ' B' ' 84' ' ' THR . 31.5 mm -67.84 -48.4 75.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.021 175.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.519 ' HG ' ' CG ' ' B' ' 72' ' ' HIS . 4.3 mm? -64.61 -20.25 66.16 Favored 'General case' 0 C--O 1.188 -2.133 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 177.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.493 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 23.8 t70 -83.13 -37.57 23.58 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-O 121.145 0.497 . . . . 0.0 111.12 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.77 -34.4 58.03 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.976 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' B' ' 87' ' ' HIS . 4.4 mp -107.38 -37.04 6.34 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 119.019 -1.073 . . . . 0.0 111.008 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' B' ' 63' ' ' ASP . 26.9 mtmt 57.53 71.15 0.6 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.96 0.886 . . . . 0.0 110.68 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -79.59 -62.11 1.79 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.291 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.404 ' HB3' ' HG3' ' B' ' 71' ' ' ARG . 7.7 t0 -173.57 149.47 1.65 Allowed 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.0 p -85.93 -21.83 27.74 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.513 0.508 . . . . 0.0 111.867 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 32.5 t -70.47 -46.81 63.06 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.644 ' O ' ' HG ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.08 -15.11 61.5 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.18 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' HG ' ' B' ' 62' ' ' LEU . 12.1 t-160 -77.6 -37.84 49.45 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 17.3 m -89.17 0.07 57.04 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 121.551 0.691 . . . . 0.0 112.174 -175.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.436 ' HE3' ' HG3' ' B' ' 76' ' ' GLU . 0.0 OUTLIER -107.28 -15.63 14.6 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.765 178.481 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 71' ' ' ARG . 20.3 mt -39.82 110.54 0.15 Allowed 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 116.324 1.972 . . . . 0.0 116.324 -174.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.436 ' HG3' ' HE3' ' B' ' 74' ' ' LYS . 39.5 mt-10 -80.71 150.61 29.27 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 106.3 -1.741 . . . . 0.0 106.3 174.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.443 ' O ' HD13 ' B' ' 81' ' ' LEU . 2.9 ttmp? -50.28 -46.68 55.31 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.14 0.495 . . . . 0.0 112.213 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.37 -29.99 70.25 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 123.834 0.854 . . . . 0.0 112.331 178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -78.68 -41.66 30.6 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -174.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.489 ' CG1' ' HB3' ' B' ' 75' ' ' LEU . 72.1 mt -64.6 -51.87 62.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 113.746 -1.57 . . . . 0.0 110.602 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.55 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -54.93 -53.12 59.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.663 -178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.7 tt0 -64.44 -35.66 81.65 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.352 -177.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.468 ' HG2' HG21 ' B' ' 61' ' ' ILE . 44.3 ttp -60.67 -43.82 97.21 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.812 0.815 . . . . 0.0 110.348 -174.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . 0.475 HG23 HD11 ' B' ' 61' ' ' ILE . 6.9 m -67.39 -41.75 84.46 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.46 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.694 ' O ' ' HG ' ' B' ' 88' ' ' LEU . 47.4 t -64.62 -46.81 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.266 0.555 . . . . 0.0 109.939 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 48.1 mtmt -61.85 -36.72 82.05 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.777 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . 0.545 ' CG ' HD11 ' B' ' 65' ' ' LEU . 55.2 t60 -70.49 -33.37 71.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' B' ' 85' ' ' VAL . 2.7 pp -66.74 -33.4 75.55 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 119.444 -0.902 . . . . 0.0 108.915 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.681 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 4.3 mpt_? -57.64 -50.93 71.52 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 123.507 0.505 . . . . 0.0 109.967 173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.4 -47.58 81.32 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 123.897 0.748 . . . . 0.0 111.056 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 88.8 mt -70.23 -22.48 62.9 Favored 'General case' 0 C--O 1.199 -1.567 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.104 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.09 -38.34 31.91 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 120.897 0.38 . . . . 0.0 111.782 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.681 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.1 OUTLIER -102.48 13.45 34.51 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 -175.117 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.17 -22.5 52.39 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.637 0.732 . . . . 0.0 109.787 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.416 -2.173 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.409 -177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 C--O 1.213 -0.826 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -62.18 -53.69 56.53 Favored Pre-proline 0 CA--C 1.568 1.655 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 -173.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.87 -35.73 92.9 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 121.697 1.598 . . . . 0.0 111.791 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -80.71 89.34 5.75 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -74.27 83.35 1.88 Allowed 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.782 0.801 . . . . 0.0 111.092 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.72 90.28 7.69 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.073 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.523 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 18.8 m -87.83 118.56 27.43 Favored 'General case' 0 N--CA 1.413 -2.307 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.79 -177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -68.15 -39.74 82.56 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 32' ' ' SER . 87.7 m-70 -112.19 136.72 51.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 170.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -54.12 -48.24 70.98 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 123.793 0.683 . . . . 0.0 112.524 -172.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.794 ' HD3' ' H ' ' A' ' 36' ' ' LYS 0.278 0.1 OUTLIER -82.92 53.39 2.41 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 123.132 1.444 . . . . 0.0 113.295 -178.28 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m -123.99 87.69 2.78 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 114.119 -1.401 . . . . 0.0 109.311 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.7 m -134.37 1.07 3.13 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.652 176.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -104.36 120.58 50.23 Favored Pre-proline 0 N--CA 1.424 -1.739 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.142 173.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.51 -37.39 81.02 Favored 'Trans proline' 0 C--N 1.332 -0.332 0 C-N-CA 122.945 2.43 . . . . 0.0 111.503 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 9.1 tt -68.02 -40.5 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.161 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.3 mmt -67.48 -41.41 84.63 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.043 0.449 . . . . 0.0 112.195 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -78.51 -25.77 45.68 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.834 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -75.6 -34.72 60.63 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.575 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -59.7 -50.51 73.56 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.862 173.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.6 ttm180 -59.22 -48.2 82.52 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.658 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 50' ' ' ILE . 71.7 ttt180 -53.63 -49.83 67.02 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 123.642 0.777 . . . . 0.0 110.969 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 52' ' ' GLU . . . -59.54 -47.35 85.9 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.149 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 49' ' ' ARG . 22.4 tpt180 -63.17 -34.47 77.71 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.671 HD13 ' HE3' ' B' ' 77' ' ' LYS . 97.0 mt -60.12 -53.49 47.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.677 175.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -59.47 -43.08 93.33 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.711 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.615 ' HG3' ' O ' ' A' ' 48' ' ' ALA . 58.0 mt-10 -59.52 -42.55 92.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.638 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.4 m -76.67 -37.02 56.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.474 -176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.08 -40.57 78.38 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.677 0.751 . . . . 0.0 109.268 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -69.2 -44.18 72.63 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.771 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -71.22 -27.98 63.87 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.414 178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' OG1' ' A' ' 84' ' ' THR . 9.3 tt -58.24 -57.22 13.86 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.273 0.629 . . . . 0.0 110.217 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -61.77 -33.28 73.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.865 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 31.2 m -69.48 -47.93 62.32 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.452 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.1 -37.32 72.4 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.43 HG21 ' HG2' ' A' ' 83' ' ' MET . 35.4 mm -62.43 -41.89 93.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.89 0.853 . . . . 0.0 109.201 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 66' ' ' LYS . 6.5 tp -73.44 -20.61 60.67 Favored 'General case' 0 C--O 1.198 -1.617 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.472 -179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -84.18 -33.23 24.24 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.838 0.828 . . . . 0.0 111.049 178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -80.77 -37.7 29.89 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.912 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.36 -29.68 10.59 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 119.305 -0.958 . . . . 0.0 112.78 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 28.1 mtmt 59.17 55.18 4.47 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.506 0.669 . . . . 0.0 111.989 172.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -65.82 -72.54 0.15 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.832 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -171.58 146.21 2.15 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.9 m -83.76 -19.76 34.55 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 123.558 0.536 . . . . 0.0 110.791 178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 m -71.88 -40.88 68.63 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 109.415 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -23.42 60.72 Favored 'General case' 0 C--O 1.203 -1.343 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.435 ' ND1' HD22 ' A' ' 62' ' ' LEU . 25.5 t60 -68.34 -28.95 67.59 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.762 176.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 p -86.15 -10.88 53.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.852 0.834 . . . . 0.0 112.081 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.547 ' HE2' ' O ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -91.9 -40.32 11.23 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' HG ' HG13 ' A' ' 80' ' ' ILE . 6.7 tp -38.41 98.17 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.143 0 C-N-CA 128.57 2.748 . . . . 0.0 111.908 -179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -81.4 167.63 19.22 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.413 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.4 ttpt -59.13 -40.25 84.86 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.346 0.593 . . . . 0.0 111.8 -175.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.55 ' HB1' ' HG3' ' B' ' 49' ' ' ARG . . . -63.21 -30.48 71.61 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.218 177.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.37 -52.97 8.25 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -177.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.462 HG13 ' HG ' ' A' ' 75' ' ' LEU . 84.2 mt -49.05 -52.44 10.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 113.823 -1.535 . . . . 0.0 112.23 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 85' ' ' VAL . 76.9 mt -61.03 -50.04 74.95 Favored 'General case' 0 C--O 1.245 0.864 0 O-C-N 123.165 0.29 . . . . 0.0 111.049 -178.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.615 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 31.0 tt0 -62.99 -33.38 75.28 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.43 ' HG2' HG21 ' A' ' 61' ' ' ILE . 37.3 ttp -56.89 -53.9 52.61 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.453 ' OG1' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -55.39 -44.19 75.9 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.569 0.224 . . . . 0.0 111.548 176.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 81' ' ' LEU . 44.2 t -59.42 -51.39 73.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-O 121.529 0.681 . . . . 0.0 110.744 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 48.0 mtmt -65.8 -30.67 71.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.837 -177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -77.73 -25.42 49.28 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.686 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 2.6 tm? -61.42 -43.03 99.57 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 174.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 6.6 mmm-85 -60.53 -48.76 80.34 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.718 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.48 -54.4 47.5 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.371 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.59 -30.65 71.41 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.798 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.585 HE21 ' HB1' ' B' ' 64' ' ' ALA . 12.3 mm-40 -75.81 -19.38 58.99 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 7.7 ppt_? -110.57 10.07 23.05 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 120.923 0.392 . . . . 0.0 111.789 177.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.27 32.32 0.56 Allowed 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.535 0.683 . . . . 0.0 110.083 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 . . . . . 0 C--N 1.302 -1.48 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -176.2 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 C--O 1.236 0.376 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -81.79 -47.37 1.02 Allowed Pre-proline 0 C--N 1.311 -1.067 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.36 108.16 0.49 Allowed 'Trans proline' 0 C--N 1.377 2.044 0 C-N-CA 121.644 1.563 . . . . 0.0 112.623 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -78.42 -45.26 22.73 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 176.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p -90.93 91.07 8.17 Favored 'General case' 0 N--CA 1.402 -2.834 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 170.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.75 155.59 24.18 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.03 -176.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 21.8 t -95.01 92.49 6.88 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -167.19 88.51 0.31 Allowed 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -137.33 127.39 25.98 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -175.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 62.3 ttt180 58.18 41.17 24.12 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 122.781 1.277 . . . . 0.0 108.896 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.411 ' HD2' ' OE1' ' B' ' 43' ' ' GLU . 3.7 tppp? -156.89 99.4 1.83 Allowed 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.775 -177.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.3 m -91.74 89.99 7.33 Favored 'General case' 0 C--N 1.283 -2.323 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.299 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.4 t 176.87 -173.63 0.1 Allowed 'General case' 0 N--CA 1.426 -1.63 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.596 ' HE3' ' HD2' ' B' ' 40' ' ' PRO . 0.0 OUTLIER -106.08 120.76 47.85 Favored Pre-proline 0 N--CA 1.403 -2.781 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 171.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.596 ' HD2' ' HE3' ' B' ' 39' ' ' LYS . 18.0 Cg_endo -60.36 -34.23 93.59 Favored 'Trans proline' 0 C--O 1.205 -1.138 0 C-N-CA 122.812 2.341 . . . . 0.0 110.233 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 tt -67.95 -43.63 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.732 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.9 mmt -70.13 -41.65 73.63 Favored 'General case' 0 CA--C 1.497 -1.066 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.411 ' OE1' ' HD2' ' B' ' 36' ' ' LYS . 12.6 pt-20 -77.24 -22.25 52.5 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.876 -1.129 . . . . 0.0 111.94 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -36.48 77.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -64.16 -47.56 79.38 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.967 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.451 ' O ' HG13 ' B' ' 50' ' ' ILE . 40.9 ttm180 -58.52 -53.27 60.21 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 123.748 0.655 . . . . 0.0 110.298 176.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' B' ' 50' ' ' ILE . 64.1 ttt180 -53.55 -47.31 70.14 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 124.626 1.17 . . . . 0.0 110.562 -178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.63 -52.26 66.16 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.297 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.55 ' HG3' ' HB1' ' A' ' 78' ' ' ALA . 9.6 tpp180 -60.23 -31.59 70.33 Favored 'General case' 0 C--O 1.205 -1.248 0 O-C-N 123.101 0.251 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.461 HD13 ' HE3' ' A' ' 77' ' ' LYS . 97.0 mt -62.99 -57.01 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -62.73 -38.37 90.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.94 0.4 . . . . 0.0 110.928 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.39 -37.61 77.6 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.247 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . 0.515 ' HA ' HE21 ' B' ' 56' ' ' GLN . 19.8 p -72.02 -36.0 69.56 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 119.72 -0.792 . . . . 0.0 109.652 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 tt -65.37 -38.0 88.73 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.138 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 t -63.94 -49.84 71.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.527 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.515 HE21 ' HA ' ' B' ' 53' ' ' SER . 26.8 pt20 -69.2 -28.03 66.01 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.58 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' B' ' 53' ' ' SER . 8.6 tt -60.94 -59.12 5.88 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.066 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -57.78 -38.9 76.26 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.234 0.334 . . . . 0.0 110.609 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 63' ' ' ASP . 85.6 m -58.79 -52.66 64.78 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.848 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.2 -29.37 57.61 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.93 -47.42 88.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 120.899 0.38 . . . . 0.0 110.259 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.72 -27.93 63.34 Favored 'General case' 0 C--O 1.205 -1.287 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 59' ' ' THR . 6.1 t70 -73.28 -37.62 66.19 Favored 'General case' 0 C--O 1.206 -1.211 0 CA-C-O 121.135 0.493 . . . . 0.0 111.07 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.585 ' HB1' HE21 ' A' ' 92' ' ' GLN . . . -82.83 -42.93 17.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.301 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 mp -83.46 -29.97 27.61 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.018 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt 49.77 67.31 0.92 Allowed 'General case' 0 CA--C 1.495 -1.143 0 C-N-CA 124.381 1.072 . . . . 0.0 113.107 178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.468 ' HE3' ' SD ' ' B' ' 83' ' ' MET . 68.0 mttm -83.8 -72.83 0.44 Allowed 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.145 177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -175.29 155.51 1.89 Allowed 'General case' 0 CA--C 1.472 -2.02 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 37.7 t -80.89 -29.16 35.72 Favored 'General case' 0 N--CA 1.405 -2.688 0 O-C-N 123.738 0.649 . . . . 0.0 111.719 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 21.7 t -64.23 -47.09 80.99 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 120.729 0.3 . . . . 0.0 110.473 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' B' ' 72' ' ' HIS . 9.5 ptp180 -68.7 -38.85 80.6 Favored 'General case' 0 C--O 1.217 -0.646 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.258 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' B' ' 71' ' ' ARG . 10.7 t-160 -56.65 -33.75 66.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 26.6 m -77.64 -1.23 29.89 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 122.089 0.947 . . . . 0.0 111.561 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' OD2' ' B' ' 79' ' ' ASP . 0.0 OUTLIER -109.82 -29.14 8.43 Favored 'General case' 0 C--N 1.291 -1.973 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.002 176.202 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.411 HD23 HG12 ' B' ' 80' ' ' ILE . 3.5 tp -45.03 110.99 0.27 Allowed 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.761 1.624 . . . . 0.0 113.026 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -85.2 164.8 17.87 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.631 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.671 ' HE3' HD13 ' A' ' 50' ' ' ILE . 25.5 ttpt -54.65 -40.22 68.8 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.541 0.525 . . . . 0.0 111.732 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.93 68.84 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.495 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.455 ' OD2' ' HE2' ' B' ' 74' ' ' LYS . 42.5 m-20 -77.7 -53.01 8.04 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.411 HG12 HD23 ' B' ' 75' ' ' LEU . 83.1 mt -50.07 -50.13 20.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 113.664 -1.607 . . . . 0.0 111.535 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.508 ' O ' HG23 ' B' ' 85' ' ' VAL . 7.5 mp -60.44 -46.75 88.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.63 0.581 . . . . 0.0 112.203 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.682 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 30.3 tt0 -64.82 -37.54 87.97 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 120.276 -0.57 . . . . 0.0 109.767 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . 0.468 ' SD ' ' HE3' ' B' ' 67' ' ' LYS . 27.6 tpp -62.06 -30.95 71.34 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.546 -176.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.89 -44.26 49.86 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.519 0.676 . . . . 0.0 109.493 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 81' ' ' LEU . 40.6 t -61.82 -40.62 87.63 Favored 'Isoleucine or valine' 0 C--O 1.255 1.375 0 CA-C-O 122.268 1.032 . . . . 0.0 109.676 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 45.3 mtmt -69.25 -30.64 68.81 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.031 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -35.52 80.6 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -52.76 64.2 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.477 ' NH1' HG12 ' B' ' 85' ' ' VAL . 4.5 mpt_? -58.68 -46.91 86.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.721 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 90.0 m-20 -59.75 -47.9 83.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 123.571 0.748 . . . . 0.0 112.588 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 97.0 mt -74.05 -37.01 64.42 Favored 'General case' 0 N--CA 1.42 -1.944 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . 0.54 HE21 ' HB1' ' A' ' 64' ' ' ALA . 13.3 mm-40 -70.18 -24.11 63.08 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 90' ' ' ASN . 0.0 OUTLIER -86.76 -8.64 57.19 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-O 121.775 0.798 . . . . 0.0 109.643 -179.433 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.2 -5.22 59.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.004 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -81.52 -53.42 0.74 Allowed Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 119.126 -0.464 . . . . 0.0 109.816 174.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -74.08 96.26 0.94 Allowed 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 120.952 1.101 . . . . 0.0 109.729 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.48 157.35 45.85 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -73.33 102.51 3.73 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.17 159.37 16.14 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.038 -177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.3 m -101.71 131.89 47.73 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.662 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -69.38 109.28 4.09 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.181 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -67.68 -36.05 79.98 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.838 -1.074 . . . . 0.0 109.378 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -137.19 139.82 41.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.801 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -141.88 125.74 17.1 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 p -91.37 -73.07 0.55 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.263 0.554 . . . . 0.0 111.082 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.0 t -153.95 -61.78 0.13 Allowed 'General case' 0 C--N 1.281 -2.394 0 CA-C-O 121.756 0.789 . . . . 0.0 109.928 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.643 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -104.79 117.49 58.7 Favored Pre-proline 0 C--N 1.278 -2.536 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.26 177.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 44' ' ' LYS . 27.5 Cg_endo -61.71 -34.34 83.84 Favored 'Trans proline' 0 C--O 1.211 -0.834 0 C-N-CA 123.304 2.67 . . . . 0.0 111.283 -177.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 8.1 tt -74.08 -42.92 52.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.573 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.9 mmt -67.28 -41.78 84.89 Favored 'General case' 0 C--O 1.249 1.068 0 CA-C-O 120.853 0.359 . . . . 0.0 111.837 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.8 pt-20 -70.85 -30.28 66.63 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.239 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 40' ' ' PRO . 27.4 ttpp -71.74 -34.97 69.97 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.163 0.506 . . . . 0.0 110.442 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 59.6 mtp180 -64.08 -43.17 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.576 0.703 . . . . 0.0 109.441 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 50' ' ' ILE . 42.5 ttm180 -68.37 -49.36 60.74 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.813 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -55.12 -46.86 75.62 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.433 1.093 . . . . 0.0 111.755 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 52' ' ' GLU . . . -56.25 -49.33 74.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -62.29 -36.92 83.58 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.041 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 46' ' ' ARG . 97.4 mt -59.76 -49.7 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 110.0 176.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -63.96 -44.81 91.65 Favored 'General case' 0 CA--C 1.494 -1.206 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.047 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 30.1 mm-40 -63.48 -40.5 97.28 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.215 -178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.5 p -74.93 -41.81 58.94 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.933 -177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.2 -40.58 96.54 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -68.28 -42.4 79.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.47 -0.786 . . . . 0.0 112.327 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -69.38 -32.76 72.0 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 119.711 -0.796 . . . . 0.0 108.862 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD21 ' OG1' ' A' ' 84' ' ' THR . 8.3 tt -57.66 -58.86 6.47 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.961 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -58.83 -34.83 72.0 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.254 0.346 . . . . 0.0 111.092 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.7 m -64.12 -52.95 56.68 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.918 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.22 -33.45 67.58 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.7 mm -65.53 -52.36 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 O-C-N 123.105 0.253 . . . . 0.0 111.424 177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' HG ' ' CG ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER -61.75 -32.04 72.26 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -177.591 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.8 -26.73 57.53 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 123.893 0.877 . . . . 0.0 111.148 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB1' HE21 ' B' ' 92' ' ' GLN . . . -83.63 -29.32 27.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.177 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 87' ' ' HIS . 5.9 mp -98.04 -35.71 10.35 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.002 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt 58.96 69.41 0.73 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.921 1.343 . . . . 0.0 111.878 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' HE2' HD22 ' A' ' 65' ' ' LEU . 67.3 mttm -85.94 -65.79 0.97 Allowed 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 112.929 -1.942 . . . . 0.0 111.214 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -175.18 147.25 0.89 Allowed 'General case' 0 CA--C 1.483 -1.629 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.3 t -83.03 -20.16 35.54 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-O 121.072 0.463 . . . . 0.0 110.492 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.9 t -71.78 -43.66 65.33 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -6.43 56.63 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.369 0.604 . . . . 0.0 110.349 -179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.498 ' CG ' ' HG ' ' A' ' 62' ' ' LEU . 13.1 t-160 -89.38 -18.3 27.11 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.273 -0.876 . . . . 0.0 108.875 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.8 m -98.09 -4.81 35.07 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.876 0.846 . . . . 0.0 111.187 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.38 73.83 1.55 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 173.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.75 ' HG ' ' CG1' ' A' ' 80' ' ' ILE . 12.1 tp -126.79 107.32 10.03 Favored 'General case' 0 N--CA 1.391 -3.414 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.27 -173.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -76.73 149.89 36.32 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.538 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.517 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 32.9 ttmt -48.35 -45.7 35.82 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.209 0.603 . . . . 0.0 112.422 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB2' HG13 ' B' ' 50' ' ' ILE . . . -63.87 -31.72 73.0 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.95 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -78.44 -35.2 47.19 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.245 1.021 . . . . 0.0 108.506 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HG ' ' A' ' 75' ' ' LEU . 73.8 mt -67.9 -52.33 40.56 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 CA-C-N 113.676 -1.602 . . . . 0.0 110.736 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 78.3 mt -55.8 -51.77 66.32 Favored 'General case' 0 CA--C 1.513 -0.481 0 O-C-N 123.378 0.424 . . . . 0.0 109.971 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 86' ' ' LYS . 24.3 tt0 -59.36 -36.51 75.86 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.505 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 42.0 ttm -67.54 -39.75 85.02 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.814 0.816 . . . . 0.0 109.519 -176.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.427 ' OG1' HD21 ' A' ' 57' ' ' LEU . 9.0 m -67.7 -44.81 76.83 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.004 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 81' ' ' LEU . 45.2 t -66.38 -43.41 91.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-O 121.125 0.488 . . . . 0.0 110.43 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 82' ' ' GLU . 77.8 mttt -66.25 -36.09 82.12 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.538 -178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' A' ' 65' ' ' LEU . 9.9 t-80 -70.67 -27.25 63.88 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.533 ' HB3' ' O ' ' A' ' 85' ' ' VAL . 27.1 tp -61.85 -45.63 92.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' ARG . 4.8 mpt_? -57.77 -47.57 82.14 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 123.443 0.464 . . . . 0.0 109.804 175.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -54.38 -54.44 40.53 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 124.126 0.891 . . . . 0.0 111.623 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' B' ' 91' ' ' LEU . 95.8 mt -66.27 -34.98 79.22 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.355 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -70.14 -19.6 63.21 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 89' ' ' ARG . 6.1 ppt_? -111.04 -1.57 16.24 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 121.929 -0.482 . . . . 0.0 111.84 -175.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 18.07 0.62 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.53 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 N--CA 1.439 -1.024 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 -176.107 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -114.9 156.47 45.05 Favored Pre-proline 0 C--N 1.307 -1.254 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -85.89 10.78 3.54 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 122.961 2.44 . . . . 0.0 109.606 171.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? 73.62 -83.91 0.03 OUTLIER 'General case' 0 CA--C 1.517 -0.31 0 C-N-CA 126.582 1.953 . . . . 0.0 112.981 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -177.84 -173.83 0.41 Allowed 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -174.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.41 75.67 6.0 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 121.43 0.633 . . . . 0.0 111.321 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.2 m -101.94 97.9 8.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.288 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -130.64 129.84 43.19 Favored 'General case' 0 N--CA 1.432 -1.375 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.262 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 176.08 91.2 0.01 OUTLIER 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.337 1.455 . . . . 0.0 107.25 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 69.32 -74.52 0.08 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.475 1.51 . . . . 0.0 108.984 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -163.7 95.83 0.82 Allowed 'General case' 0 N--CA 1.432 -1.373 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.562 ' OG ' ' HB3' ' B' ' 43' ' ' GLU . 7.5 t -97.03 108.95 21.78 Favored 'General case' 0 C--N 1.275 -2.662 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.216 -176.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -123.43 -8.54 8.06 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' B' ' 39' ' ' LYS . 7.5 mmpt? -104.66 115.47 62.64 Favored Pre-proline 0 C--N 1.304 -1.405 0 O-C-N 121.969 -0.457 . . . . 0.0 111.423 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.03 -33.17 95.57 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.517 2.811 . . . . 0.0 112.698 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 8.4 tt -73.84 -42.25 53.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.143 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 23.8 mmt -68.6 -40.64 80.34 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.09 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.562 ' HB3' ' OG ' ' B' ' 37' ' ' SER . 10.1 pt-20 -73.86 -27.21 60.97 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.368 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -68.86 -46.95 67.17 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -59.39 -49.94 75.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.44 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.568 ' O ' HG13 ' B' ' 50' ' ' ILE . 35.4 ttm180 -63.96 -57.17 10.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.388 -177.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' B' ' 50' ' ' ILE . 76.6 ttt180 -60.08 -39.14 85.03 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 122.97 0.508 . . . . 0.0 111.847 -174.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' B' ' 52' ' ' GLU . . . -57.08 -54.51 45.93 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.593 0.558 . . . . 0.0 109.555 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -65.66 -27.97 68.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.986 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.568 HG13 ' O ' ' B' ' 46' ' ' ARG . 92.7 mt -61.54 -54.14 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -66.04 -43.72 86.73 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.473 -178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' B' ' 48' ' ' ALA . 49.1 mt-10 -61.66 -43.2 99.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.875 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -75.99 -37.66 58.25 Favored 'General case' 0 N--CA 1.436 -1.175 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.978 -176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.77 -39.32 80.29 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 28.5 t -65.5 -48.77 71.45 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . 0.464 ' HG3' HG11 ' A' ' 85' ' ' VAL . 11.3 pt20 -68.6 -28.75 67.2 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.518 -179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.82 -58.74 7.05 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -61.32 -30.56 70.57 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' B' ' 58' ' ' LYS . 50.0 m -66.78 -54.7 20.01 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.921 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.64 -41.04 96.42 Favored 'General case' 0 C--O 1.2 -1.506 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.439 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mm -58.65 -45.9 90.55 Favored 'Isoleucine or valine' 0 C--O 1.271 2.202 0 CA-C-O 121.599 0.714 . . . . 0.0 111.482 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.457 HD22 ' HD2' ' B' ' 67' ' ' LYS . 0.8 OUTLIER -70.02 -41.92 73.64 Favored 'General case' 0 C--O 1.206 -1.236 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.068 -177.179 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.431 ' O ' ' HE2' ' B' ' 66' ' ' LYS . 9.8 t70 -79.93 -28.08 39.76 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -173.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.88 -31.85 31.32 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 120.939 0.399 . . . . 0.0 110.6 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -103.73 -16.4 15.46 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 118.671 -1.212 . . . . 0.0 112.686 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' B' ' 63' ' ' ASP 0.267 23.5 mtmt 48.74 65.26 1.4 Allowed 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.635 1.174 . . . . 0.0 113.862 178.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.457 ' HD2' HD22 ' B' ' 62' ' ' LEU . 47.8 mttp -62.31 -80.84 0.03 OUTLIER 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.548 -2.115 . . . . 0.0 111.365 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -177.27 154.22 1.02 Allowed 'General case' 0 CA--C 1.475 -1.912 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.2 m -85.36 -26.41 26.51 Favored 'General case' 0 C--N 1.269 -2.898 0 O-C-N 123.818 0.699 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 27.0 t -67.8 -43.66 79.17 Favored 'General case' 0 N--CA 1.435 -1.212 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 -10.13 59.74 Favored 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 119.734 -0.786 . . . . 0.0 111.695 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.456 ' ND1' ' HG ' ' B' ' 62' ' ' LEU . 80.2 t60 -67.44 -21.45 65.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.532 0.682 . . . . 0.0 109.375 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 14.8 m -85.39 10.19 13.44 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.861 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' B' ' 74' ' ' LYS . 0.6 OUTLIER -141.98 73.23 1.4 Allowed 'General case' 0 N--CA 1.432 -1.334 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.555 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' B' ' 75' ' ' LEU . 1.0 OUTLIER -133.49 117.04 16.69 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.987 174.322 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -94.61 159.31 15.14 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HG ' ' B' ' 81' ' ' LEU . 24.7 ttpt -55.57 -41.44 73.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.212 0.46 . . . . 0.0 112.006 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.92 71.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.183 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.61 -43.01 27.41 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.967 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.78 -46.19 96.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.845 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 77' ' ' LYS . 71.8 mt -62.02 -50.54 71.61 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.399 0.437 . . . . 0.0 110.129 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' B' ' 86' ' ' LYS . 14.7 tt0 -57.83 -37.68 74.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.956 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 29.1 tpp -59.64 -48.64 80.85 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 123.541 0.526 . . . . 0.0 109.859 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -40.99 90.72 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' VAL . . . . . 0.537 ' O ' ' HB3' ' B' ' 88' ' ' LEU . 48.4 t -65.75 -48.41 82.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.197 0.522 . . . . 0.0 110.096 -178.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 82' ' ' GLU . 77.9 mttt -65.38 -33.72 76.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.439 0.638 . . . . 0.0 110.764 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.27 -26.99 60.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.477 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.537 ' HB3' ' O ' ' B' ' 85' ' ' VAL . 24.3 tp -60.27 -43.75 95.94 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ARG . . . . . 0.54 ' O ' ' HG3' ' B' ' 93' ' ' ARG . 7.6 mmm-85 -61.34 -48.23 82.28 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.952 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.53 -54.49 46.41 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.613 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 86.2 mt -70.84 -17.24 62.75 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.608 -176.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . 0.405 HE21 ' HB1' ' A' ' 64' ' ' ALA . 9.5 mm-40 -86.6 -19.58 29.16 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' B' ' 89' ' ' ARG . 0.0 OUTLIER -107.75 4.94 26.18 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.669 179.284 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.14 -12.87 61.73 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.953 0.882 . . . . 0.0 110.424 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.403 -2.809 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.168 . . . . . . . . 1 1 . 1 stop_ save_